data_2dlq_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 2dlq _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 ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.478 ' CG2' HD22 ' A' ' 23' ' ' LEU . 35.8 m -73.71 -175.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.154 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -153.5 140.37 19.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.434 ' C ' ' H ' ' A' ' 12' ' ' THR . 8.2 t -81.44 117.1 66.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.636 0.731 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 9.87 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.434 ' H ' ' C ' ' A' ' 10' ' ' CYS . 79.9 m -114.09 -59.46 2.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.5 p -100.62 -12.98 18.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.4 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 72.6 m-70 69.47 44.07 0.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -107.97 110.1 21.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -74.09 152.2 39.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -133.35 178.77 6.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.477 HD22 ' CE2' ' A' ' 22' ' ' TYR . 1.9 pp -80.59 -36.4 32.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.1 t -144.32 144.57 31.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' TYR . 7.6 tppt? -48.17 -46.15 34.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' LYS . 15.9 t80 -36.6 -59.82 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.477 ' CE2' HD22 ' A' ' 18' ' ' LEU . 25.3 m-85 -59.0 -46.1 89.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.948 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.478 HD22 ' CG2' ' A' ' 8' ' ' VAL . 38.7 tp -52.39 -50.52 62.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -55.83 -64.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.1 t -49.17 -31.54 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -69.93 -43.81 70.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.44 ' C ' ' ND2' ' A' ' 27' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.871 0.367 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 34.4 tt0 -164.48 130.61 2.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.427 ' N ' HD12 ' A' ' 51' ' ' LEU . 6.9 t -44.92 112.05 1.41 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.674 0.75 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -2.37 10.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -95.78 -45.84 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.3 p -111.91 -46.01 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.14 37.32 1.25 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.435 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 2.9 tmtt? -95.7 111.78 23.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 29.7 p -66.17 133.66 51.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.462 ' CD2' ' HA ' ' A' ' 51' ' ' LEU . 5.2 m-85 -134.9 100.87 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' TYR . 9.5 t80 -37.09 -53.45 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -93.03 133.32 36.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -58.55 -51.93 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -42.63 -50.99 5.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -56.34 -45.54 80.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.462 ' HA ' ' CD2' ' A' ' 45' ' ' TYR . 17.5 tp -54.69 -54.32 43.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.982 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.2 mt -51.65 -56.1 15.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 54' ' ' HIS . 60.5 mt-10 -48.04 -66.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.48 ' CD2' ' N ' ' A' ' 55' ' ' GLU . 3.6 t60 -34.86 -61.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.48 ' N ' ' CD2' ' A' ' 54' ' ' HIS . 2.8 mm-40 -34.51 -44.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.04 -47.38 10.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -53.7 -60.94 2.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.422 ' O ' ' CE1' ' A' ' 54' ' ' HIS . 9.0 m120 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.884 0.373 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 50.3 m-85 -120.73 150.51 40.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.9 m -117.74 130.93 56.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.401 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 3.7 t -57.77 177.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.8 t -119.04 0.64 11.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.557 HG11 ' CE1' ' A' ' 89' ' ' HIS . 60.9 t -121.29 -47.24 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.432 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.4 p -113.38 -3.15 13.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 59.42 38.69 22.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.582 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.4 tp10 -62.5 -173.55 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.2 p -131.35 128.21 39.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.582 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 12.8 m-85 -137.64 116.5 12.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.42 ' CD ' ' HG3' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -63.85 -13.04 41.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.42 ' HG3' ' CD ' ' A' ' 77' ' ' ARG . 51.1 mtp85 -123.66 160.73 26.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 8.6 tpt180 -81.16 -51.31 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.7 tpt -51.43 -47.18 63.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -44.75 -55.36 5.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.2 tp -50.39 -44.28 54.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -58.68 -42.91 89.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.3 mt -74.63 -13.56 60.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -90.81 -41.96 10.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.403 ' HA ' ' CE ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -50.83 -35.91 34.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 m -50.63 -36.48 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.0 m -60.44 -30.59 69.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.557 ' CE1' HG11 ' A' ' 71' ' ' VAL . 70.1 m-70 -78.57 -36.9 43.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.4 t -106.91 28.53 7.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.935 0.397 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -147.28 155.89 42.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.414 ' SG ' ' SD ' ' A' ' 114' ' ' MET . 1.2 t -86.72 -176.12 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.4 m -124.49 -43.27 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -70.06 -48.5 57.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.5 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 22.3 p -104.2 -21.92 13.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t 74.92 30.69 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.5 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.8 mm100 -63.8 -174.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.482 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 35.6 mt-30 -138.57 143.69 39.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 6.5 m-85 -146.75 163.03 37.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.0 mmt -98.89 -25.97 14.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -116.87 153.31 32.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.501 ' HZ3' ' NE2' ' A' ' 111' ' ' GLN . 52.6 tttm -68.57 -49.71 57.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -57.06 -38.81 73.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.84 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -56.98 -36.34 70.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.5 tp -76.73 -53.29 8.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.501 ' NE2' ' HZ3' ' A' ' 107' ' ' LYS . 31.7 mt-30 -48.97 -50.75 34.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.8 t -61.65 -40.68 95.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.488 ' CE1' HD12 ' A' ' 117' ' ' LEU . 5.5 t60 -59.97 -35.1 74.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.414 ' SD ' ' SG ' ' A' ' 97' ' ' CYS . 31.3 mtp -85.1 -15.68 43.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.433 ' C ' ' HD2' ' A' ' 116' ' ' LYS . 27.9 mt -93.31 -12.85 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.433 ' HD2' ' C ' ' A' ' 115' ' ' ILE . 0.3 OUTLIER -114.23 -57.61 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.488 HD12 ' CE1' ' A' ' 113' ' ' HIS . 6.0 mt -67.26 -46.1 74.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.852 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.7 m -81.18 172.66 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 0.0 111.155 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -145.53 136.8 24.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' HIS . 43.4 t -85.32 114.72 57.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.586 0.708 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 4.48 2.17 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -101.17 -51.75 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.6 p -118.75 6.49 11.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 10' ' ' CYS . 67.6 m-70 60.14 25.33 14.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.565 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 58.9 tttt -86.42 113.16 22.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -90.1 158.26 17.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.565 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 30.3 m-85 -137.79 -177.87 5.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.7 mt -67.99 -50.67 54.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.3 t -137.7 -176.51 4.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -69.4 -37.81 77.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -51.44 -56.31 13.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -53.77 -40.81 66.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.9 tp -57.76 -59.57 5.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -41.99 -61.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.3 t -49.25 -35.55 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 27' ' ' ASN . 4.0 t60 -72.48 -59.3 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 26' ' ' HIS . 2.1 t30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 66.1 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.864 0.364 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -172.45 130.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.459 ' CA ' HD12 ' A' ' 51' ' ' LEU . 5.7 t -52.24 112.73 3.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 1.56 4.31 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.698 2.266 . . . . 0.0 112.324 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -100.07 -43.52 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.0 p -115.8 -37.49 3.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 108.53 27.43 4.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.5 109.28 17.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 75.9 m -64.13 135.06 56.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.412 ' CB ' ' HB2' ' A' ' 51' ' ' LEU . 2.9 m-85 -134.94 146.64 49.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -64.98 -56.98 9.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -110.85 146.77 35.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 62.2 tttt -64.43 -39.16 93.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -47.57 -66.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -52.29 -48.27 65.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.459 HD12 ' CA ' ' A' ' 38' ' ' CYS . 34.0 tp -52.03 -46.62 65.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.5 mt -57.06 -39.89 75.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -61.12 -41.09 96.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -63.96 -36.97 85.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -56.9 -51.5 68.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.62 -49.09 17.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -53.72 -68.39 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.9 0.381 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 20.8 m-85 -119.74 155.16 33.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.3 m -116.2 125.13 51.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.413 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.6 t -50.88 172.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.8 p -113.41 10.1 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.432 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 48.4 t -133.36 -45.56 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.452 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.2 p -116.15 -0.7 12.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.402 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 38.7 mm-40 58.96 33.92 23.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 1.3 tp10 -55.6 -173.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.0 p -128.76 124.97 36.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.172 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 74' ' ' GLU . 9.6 m-85 -133.12 119.16 19.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -53.45 -32.87 51.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.44 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 86.1 mtt180 -124.78 162.23 24.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.47 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 27.2 tpt180 -68.88 -61.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 79' ' ' ARG . 3.3 tpt -36.15 -47.01 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -50.68 -47.94 58.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.531 HD12 ' CE1' ' A' ' 76' ' ' PHE . 16.1 tp -56.49 -35.76 68.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -66.63 -43.89 83.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 mt -70.57 -13.28 62.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.405 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 22.8 t60 -93.37 -39.67 10.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.401 ' HE3' ' SG ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -52.74 -32.25 42.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.7 m -51.36 -30.78 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.8 m -68.46 -27.8 66.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.432 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 65.8 m-70 -83.6 -52.37 6.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -72.33 -40.43 67.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.488 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 82.7 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.995 0.426 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -155.88 151.77 27.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -82.45 -174.71 5.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.8 t -123.44 -44.22 2.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 t -73.4 -51.58 16.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.513 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.5 p -96.93 -13.25 22.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.2 p 62.73 30.76 16.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.513 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.2 mm100 -64.73 -174.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.643 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 26.3 mt-30 -141.06 150.57 43.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.643 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.3 m-85 -150.35 162.13 41.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.2 mmt -95.76 -27.75 15.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -123.33 147.77 46.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.488 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 26.0 tttt -59.67 -57.34 13.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 109' ' ' ASP . 0.1 OUTLIER -47.67 -36.67 11.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.412 ' N ' ' HG2' ' A' ' 108' ' ' LYS . 5.9 t0 -61.8 -33.03 73.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.457 HD12 ' CE1' ' A' ' 104' ' ' PHE . 21.1 tp -80.11 -47.04 15.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -52.83 -50.71 63.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.3 -36.69 82.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.562 ' CE1' HD11 ' A' ' 117' ' ' LEU . 4.8 t60 -64.75 -35.12 80.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 34.2 mtp -82.25 -19.99 38.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.3 mt -87.06 -26.24 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -91.28 -58.48 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.562 HD11 ' CE1' ' A' ' 113' ' ' HIS . 4.1 mt -77.13 -52.12 9.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.856 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -81.48 -178.18 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -153.3 150.84 29.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.44 ' C ' ' H ' ' A' ' 12' ' ' THR . 4.1 t -88.24 117.63 68.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.663 0.744 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 11.68 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.307 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.44 ' H ' ' C ' ' A' ' 10' ' ' CYS . 19.4 m -119.4 -58.13 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 p -101.12 -7.66 22.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 63.05 45.34 5.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.438 ' HE2' ' CE2' ' A' ' 17' ' ' PHE . 54.2 tttt -106.05 113.33 26.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -80.57 141.92 34.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.906 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.438 ' CE2' ' HE2' ' A' ' 15' ' ' LYS . 46.7 m-85 -125.94 178.84 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.436 ' N ' HD13 ' A' ' 18' ' ' LEU . 8.3 mp -76.61 -55.57 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.7 p -126.48 145.5 50.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' LEU . 11.1 ttpt -44.44 -47.06 9.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -38.84 -54.69 1.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -58.68 -37.07 75.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 20' ' ' LYS . 22.6 tp -69.58 -63.46 1.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -43.86 -38.38 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.6 t -70.98 -40.46 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.149 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.469 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 2.2 t60 -71.94 -58.08 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.469 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 11.4 t30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.848 0.356 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.427 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 22.0 tt0 -153.51 157.29 39.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.2 t -74.95 113.3 23.41 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.66 0.743 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 0.92 4.92 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.361 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -100.43 -45.24 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.8 p -113.73 -43.47 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.77 36.27 2.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.49 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 6.5 tmtm? -94.6 120.92 35.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.323 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.1 p -64.16 157.17 26.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.49 ' CE2' ' HD2' ' A' ' 43' ' ' LYS . 5.0 m-85 -167.72 107.85 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.16 -49.23 43.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.474 ' CG ' ' HB2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -88.38 140.52 29.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -84.04 -29.76 26.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.5 mp0 -55.63 -55.77 28.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.474 ' HB2' ' CG ' ' A' ' 47' ' ' ARG . 2.3 m-80 -63.55 -51.46 65.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.9 tp -47.7 -43.03 26.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.4 mt -58.84 -42.8 90.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 54' ' ' HIS . 36.4 mt-10 -62.86 -62.54 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.441 ' CD2' ' C ' ' A' ' 54' ' ' HIS . 1.5 t60 -36.26 -51.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -37.68 -44.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -93.7 -43.74 8.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -63.24 1.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.838 0.351 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 10.0 m-85 -119.66 161.95 19.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.2 m -124.61 128.93 49.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.175 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.424 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 5.2 t -56.8 172.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.4 t -113.29 3.08 15.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.448 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 89.2 t -123.36 -48.83 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.0 p -113.36 -2.34 14.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.424 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 44.4 mm-40 60.15 34.71 21.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.573 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -57.41 -174.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.1 p -127.41 128.13 45.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 10.3 m-85 -135.22 114.98 12.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.46 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -48.88 -33.19 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.46 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 21.2 mtp85 -125.18 171.94 9.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.572 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 11.2 ttp180 -76.83 -64.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' ARG . 0.7 OUTLIER -33.35 -49.13 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -48.72 -53.14 20.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.568 HD12 ' CE1' ' A' ' 76' ' ' PHE . 14.3 tp -52.22 -38.89 59.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -62.31 -47.29 84.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.93 -14.43 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -91.1 -39.76 11.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.13 -32.44 35.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.463 HG12 ' CE ' ' A' ' 105' ' ' MET . 5.1 m -49.96 -33.94 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.9 m -67.08 -29.12 68.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.448 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 52.5 m-70 -82.02 -54.05 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.827 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.447 HG21 ' N ' ' A' ' 91' ' ' GLY . 10.2 t -68.92 -39.91 79.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.447 ' N ' HG21 ' A' ' 90' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 85.6 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.902 0.382 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -155.37 151.08 27.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -86.39 -177.07 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 t -124.24 -43.17 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -71.14 -45.56 63.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.507 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.2 p -105.93 -15.56 14.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m 65.0 35.74 7.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.507 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.6 mm100 -69.09 -174.29 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -143.63 139.61 29.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -140.19 172.3 12.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.463 ' CE ' HG12 ' A' ' 87' ' ' VAL . 9.1 mmt -108.46 -23.97 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -119.49 150.58 40.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 25.7 tttp -66.75 -46.83 74.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -62.33 -26.5 68.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -35.07 76.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.1 tp -79.18 -48.24 14.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -52.02 -50.55 61.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 t -62.04 -40.77 96.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.579 ' CE1' HD11 ' A' ' 117' ' ' LEU . 4.4 t60 -58.15 -40.38 81.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.458 ' O ' ' C ' ' A' ' 118' ' ' HIS . 41.5 mtp -76.28 -32.83 59.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.1 mt -76.13 -23.52 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.48 -55.09 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.579 HD11 ' CE1' ' A' ' 113' ' ' HIS . 6.5 mt -81.08 -51.36 8.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 114' ' ' MET . 68.9 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.0 m -83.47 -177.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -147.73 137.29 22.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 14' ' ' HIS . 42.8 t -86.44 115.92 63.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.664 0.745 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 5.05 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -102.17 -52.12 3.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.9 p -120.52 10.06 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' CYS . 67.6 m-70 56.98 25.05 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.529 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 62.0 tttt -85.61 111.83 20.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -84.58 157.52 21.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.529 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 43.6 m-85 -137.76 -176.4 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 mp -69.94 -54.69 12.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 t -136.43 172.68 12.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.471 ' CD ' ' HG3' ' A' ' 24' ' ' LYS . 4.2 tmtp? -57.11 -50.41 72.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -38.82 -60.03 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -49.31 -43.62 43.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.0 tp -58.08 -61.25 2.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 36.3 mttm -43.04 -43.69 4.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.4 t -68.54 -33.99 62.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 4.3 t60 -76.55 -62.15 1.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.463 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.815 0.341 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 44' ' ' CYS . 36.4 tt0 -170.91 123.15 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.451 ' N ' HD13 ' A' ' 51' ' ' LEU . 2.3 t -36.37 105.74 0.3 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.731 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.1 3.83 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -99.37 -34.86 10.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.1 p -125.88 -43.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.56 21.56 3.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.552 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 3.1 tmtm? -80.96 106.23 12.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.747 0.308 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 11.5 p -63.24 165.53 7.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.552 ' CE2' ' HD2' ' A' ' 43' ' ' LYS . 6.0 m-85 -165.1 114.62 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -39.72 -48.36 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -112.44 157.64 20.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 49' ' ' GLU . 64.6 tttt -70.97 -54.23 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 48' ' ' LYS . 19.4 tt0 -34.54 -56.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -54.99 -51.47 66.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.474 ' HA ' ' CD2' ' A' ' 45' ' ' TYR . 6.6 tp -49.11 -52.22 27.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.9 mt -57.09 -41.4 78.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.58 -44.65 95.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 58' ' ' ASN . 3.6 t60 -57.87 -37.49 74.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -60.17 -63.55 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.41 -51.14 67.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -54.16 -70.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 54' ' ' HIS . 29.9 t-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.847 0.356 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 19.0 m-85 -125.51 158.55 34.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 88.0 m -118.33 127.07 53.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.437 ' HA ' ' CD1' ' A' ' 82' ' ' LEU . 5.3 t -53.34 172.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.8 m -113.13 10.59 18.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.9 t -134.13 -44.56 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.2 p -117.14 -0.49 12.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.403 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 37.0 mm-40 57.91 34.97 24.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 2.5 tp10 -56.15 -173.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.9 p -128.55 122.86 32.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.543 ' CE1' HD11 ' A' ' 82' ' ' LEU . 11.6 m-85 -129.99 118.87 22.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.543 ' H ' ' NE ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -55.81 -27.99 53.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -127.24 160.87 29.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 13.1 ttp180 -68.23 -61.89 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 79' ' ' ARG . 4.4 tpt -37.53 -47.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -46.8 -51.6 16.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.543 HD11 ' CE1' ' A' ' 76' ' ' PHE . 18.6 tp -54.83 -34.99 63.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -66.93 -41.72 86.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.816 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 mt -73.01 -19.0 61.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -87.21 -38.14 16.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.17 -22.93 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 m -57.49 -29.72 34.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.1 p -70.95 -13.51 62.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -104.96 -23.56 12.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.0 p -95.12 -31.19 13.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.506 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.942 0.401 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -152.41 143.2 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -79.55 -174.55 4.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.3 m -126.11 -43.6 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -71.13 -42.65 68.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.529 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 31.2 p -111.61 -2.08 15.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.5 p 54.55 27.95 9.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.529 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 3.7 mm100 -60.75 -173.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.613 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 19.7 mt-30 -145.16 148.22 33.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.613 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.4 m-85 -148.03 165.65 30.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.8 mmt -97.62 -28.39 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -122.41 159.3 27.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -57.95 5.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -48.43 -39.37 22.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -58.77 -29.98 67.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.48 HD12 ' CE1' ' A' ' 104' ' ' PHE . 16.7 tp -88.56 -44.07 10.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -54.5 -51.37 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -61.74 -38.8 89.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.557 ' CE1' HD13 ' A' ' 117' ' ' LEU . 4.8 t60 -60.72 -41.13 94.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 34.3 mtp -74.92 -23.41 58.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.6 mt -85.57 -23.1 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -96.21 -56.39 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.557 HD13 ' CE1' ' A' ' 113' ' ' HIS . 4.3 mt -76.79 -51.82 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.867 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.8 m -73.08 174.35 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -144.17 142.52 30.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.2 t -91.25 115.69 64.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.67 0.748 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 6.36 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 m -102.24 -57.73 2.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.2 p -116.37 18.08 15.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 48.38 33.79 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.7 tttt -94.76 114.66 26.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -82.85 159.26 22.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -138.23 174.2 10.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.8 mt -73.86 -43.78 57.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.0 m -141.9 177.61 8.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 20' ' ' LYS . 2.0 mppt? -66.53 -40.4 89.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -45.44 -64.55 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -51.27 -36.19 40.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.7 tp -67.57 -66.21 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 44.4 pttt -42.98 -36.87 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.489 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 72.1 t -74.73 -37.3 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -70.17 -51.2 33.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 t30 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.928 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.868 0.366 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 29.8 tt0 -164.57 153.57 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.444 ' N ' HD11 ' A' ' 51' ' ' LEU . 8.4 t -71.08 113.11 16.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.631 0.729 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 0.68 5.28 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.625 2.216 . . . . 0.0 112.361 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -99.81 -42.56 6.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 38' ' ' CYS . 27.0 p -116.58 -45.61 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.48 35.89 1.68 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.422 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 4.4 tmtt? -94.26 119.32 32.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.733 0.302 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.0 p -68.06 152.4 45.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -147.48 145.42 29.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -72.68 -41.21 65.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -112.37 148.99 33.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -70.65 -48.89 52.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -48.72 -53.53 18.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -51.26 -47.44 62.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.444 HD11 ' N ' ' A' ' 38' ' ' CYS . 31.4 tp -56.01 -54.37 45.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.9 mt -49.08 -41.42 35.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.42 -62.09 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.416 ' CE1' ' O ' ' A' ' 58' ' ' ASN . 3.1 t60 -40.18 -46.32 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -44.69 -40.91 6.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.31 -44.17 8.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -53.26 -54.45 35.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.416 ' O ' ' CE1' ' A' ' 54' ' ' HIS . 8.8 t-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.844 0.354 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 8.4 m-85 -112.98 149.8 32.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.4 m -114.83 130.4 56.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.144 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.436 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 4.5 t -60.14 174.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.7 t -116.33 -0.3 12.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.582 HG13 ' CE1' ' A' ' 89' ' ' HIS . 56.1 t -119.85 -48.97 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 27.1 p -113.46 -2.36 13.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.436 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 30.7 mm-40 59.9 36.18 21.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.596 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 1.5 tp10 -61.28 179.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.9 p -123.14 129.4 51.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.596 ' CZ ' ' HB3' ' A' ' 74' ' ' GLU . 8.7 m-85 -134.38 117.47 16.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.836 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.412 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -52.66 -32.5 42.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.412 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 88.7 mtt180 -124.63 170.27 11.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.555 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 13.1 tpp180 -77.43 -59.67 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' ARG . 5.8 tpt -36.14 -53.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -45.28 -48.31 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.541 HD13 ' CE1' ' A' ' 76' ' ' PHE . 32.7 tp -56.58 -43.35 79.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -58.01 -42.14 84.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.8 mt -75.06 -12.75 60.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.414 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 36.8 t60 -90.41 -44.58 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -49.75 -34.07 18.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.8 m -50.8 -32.34 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -67.28 -28.02 67.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.582 ' CE1' HG13 ' A' ' 71' ' ' VAL . 58.7 m-70 -82.54 -51.04 8.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 t -71.78 -45.32 61.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 86.3 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.015 0.436 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -151.34 142.17 22.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -74.36 -175.36 2.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.7 m -122.86 -45.66 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.541 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.4 t -71.18 -48.26 52.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.505 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.0 p -102.45 -14.65 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 55.9 m 63.14 34.51 13.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.505 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.4 mm-40 -65.37 -175.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.506 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 31.0 mt-30 -140.7 146.69 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 11.0 m-85 -148.32 165.2 31.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.1 mmt -96.84 -29.16 13.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -117.85 160.31 21.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 37.3 tttm -73.18 -50.18 23.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -56.0 -33.51 64.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.459 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 4.5 t0 -61.26 -36.52 80.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 20.0 tp -77.13 -50.88 12.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -47.67 -51.04 23.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -62.72 -43.66 98.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.541 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.3 t60 -54.84 -39.44 68.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.48 ' O ' ' C ' ' A' ' 118' ' ' HIS . 40.9 mtp -78.02 -30.64 50.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.6 mt -75.0 -28.51 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.476 ' HE2' ' N ' ' A' ' 116' ' ' LYS . 0.3 OUTLIER -89.29 -57.01 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.827 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.541 HD12 ' CE1' ' A' ' 113' ' ' HIS . 4.9 mt -78.32 -54.23 6.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.541 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 97.8 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.79 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.456 ' CG1' ' HG2' ' A' ' 20' ' ' LYS . 31.6 m -72.19 176.04 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.799 0.333 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -144.1 146.79 33.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.402 ' C ' ' H ' ' A' ' 12' ' ' THR . 41.7 t -98.01 114.24 64.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 110.842 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 6.36 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.402 ' H ' ' C ' ' A' ' 10' ' ' CYS . 3.0 m -101.31 -55.3 2.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.9 p -119.23 15.51 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 52.56 30.37 8.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.441 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 45.7 tttt -92.03 117.03 29.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -87.75 157.19 19.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.441 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 68.5 m-85 -139.37 178.18 7.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -64.49 -55.84 18.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.8 m -141.45 165.71 26.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 21' ' ' TYR . 22.3 mmtm -45.94 -56.77 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.462 ' C ' ' O ' ' A' ' 20' ' ' LYS . 4.3 t80 -32.38 -65.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -50.18 -48.69 53.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 tp -55.23 -58.26 8.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.417 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 50.9 mttm -43.15 -59.57 2.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.7 t -53.71 -35.16 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.154 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.533 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 4.1 t60 -71.1 -65.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.533 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.805 0.336 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -135.07 125.4 26.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 t -41.38 112.62 0.99 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -1.62 8.82 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -95.41 -47.29 6.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.8 p -110.91 -43.49 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.49 35.85 1.84 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -97.1 121.72 39.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.7 p -74.85 145.5 42.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -145.89 116.92 7.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -50.58 -49.9 55.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.33 146.73 24.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -71.13 -47.57 57.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -43.87 -60.14 1.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -47.89 -55.11 10.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.1 tp -47.07 -51.88 16.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.52 -51.97 67.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 57' ' ' ARG . 44.0 mt-10 -53.15 -38.46 62.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -65.72 -42.43 91.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -54.29 -55.59 26.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.34 -50.11 29.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 53' ' ' GLU . 4.1 tmt_? -54.04 -64.59 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.2 t30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.841 0.353 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 5.3 m-85 -116.38 175.38 5.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 93.4 m -141.47 124.04 15.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.45 ' SG ' ' CE ' ' A' ' 86' ' ' MET . 25.2 t -58.6 158.17 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.5 t -102.89 15.34 29.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.44 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 53.1 t -128.7 -45.88 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.1 p -117.66 -12.7 10.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 72' ' ' CYS . 43.4 mm-40 71.74 31.37 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.582 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -56.95 -174.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.6 p -128.38 128.27 44.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.582 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 8.7 m-85 -134.86 118.81 17.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.59 ' H ' ' NE ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -54.8 -31.46 59.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -125.88 169.93 12.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 4.8 ttp-105 -75.89 -60.47 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 79' ' ' ARG . 5.5 tpt -36.77 -52.73 0.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -45.56 -50.22 13.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.556 HD11 ' CE1' ' A' ' 76' ' ' PHE . 32.4 tp -55.79 -39.12 70.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -61.32 -43.7 98.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mt -71.5 -14.05 62.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.403 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 21.1 t60 -89.53 -44.72 9.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.45 ' CE ' ' SG ' ' A' ' 69' ' ' CYS . 0.2 OUTLIER -47.71 -33.95 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.446 HG11 ' CE ' ' A' ' 105' ' ' MET . 4.6 m -49.59 -32.28 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.8 t -67.13 -28.85 68.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.44 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 55.9 m-70 -84.08 -52.74 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.6 t -69.69 -40.59 76.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.619 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 72.2 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.909 0.385 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 96' ' ' LYS . 2.0 mtmp? -154.73 143.87 21.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.88 -177.85 6.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.8 p -121.38 -46.81 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -65.86 -51.78 55.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.404 ' SG ' ' HG3' ' A' ' 102' ' ' GLN . 30.0 p -98.5 -22.01 16.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.1 m 72.97 25.2 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.404 ' HG3' ' SG ' ' A' ' 100' ' ' CYS . 4.6 mt-30 -61.57 -174.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.601 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 32.4 mt-30 -140.43 154.84 46.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.601 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 5.1 m-85 -153.87 159.54 41.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.446 ' CE ' HG11 ' A' ' 87' ' ' VAL . 5.6 mmt -95.71 -27.01 15.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.455 ' C ' ' CE2' ' A' ' 95' ' ' TYR . 12.8 mt-30 -114.33 165.37 12.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.619 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 1.5 ttmp? -80.21 -45.1 18.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -61.62 -31.75 71.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -61.85 -37.64 85.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.6 tp -77.45 -51.4 10.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -49.38 -51.51 34.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 t -64.09 -36.75 85.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.545 ' CE1' HD11 ' A' ' 117' ' ' LEU . 2.6 t60 -62.44 -40.77 97.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 48.0 mtp -75.33 -26.5 58.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 16.2 mt -81.14 -26.58 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -92.73 -58.53 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.545 HD11 ' CE1' ' A' ' 113' ' ' HIS . 6.4 mt -72.64 -50.11 27.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.922 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.503 ' CG1' ' HD3' ' A' ' 20' ' ' LYS . 27.3 m -79.93 174.94 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 111.125 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -141.52 139.72 33.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 14' ' ' HIS . 43.5 t -86.92 115.56 62.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.658 0.742 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 4.98 1.86 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -101.25 -53.33 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.2 p -118.58 9.21 12.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 10' ' ' CYS . 72.9 m-70 59.69 25.07 13.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.405 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 31.5 tttt -85.89 120.48 27.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -95.15 157.06 16.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.915 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.405 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 17.1 m-85 -136.84 174.15 10.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.515 HD22 ' CD2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -74.51 -36.16 63.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 m -142.53 158.37 43.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.503 ' HD3' ' CG1' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -56.33 -49.59 73.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' LYS . 75.8 t80 -35.57 -54.74 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.515 ' CD2' HD22 ' A' ' 18' ' ' LEU . 9.8 m-85 -59.5 -43.46 93.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' LYS . 33.1 tp -56.51 -43.31 79.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -60.46 -64.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 64.7 t -48.09 -35.66 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.52 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 3.1 t60 -70.85 -62.98 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.52 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 44' ' ' CYS . 40.2 tt0 -167.77 134.67 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.3 t -49.49 110.33 1.54 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.693 0.759 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 0.83 5.02 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.754 2.302 . . . . 0.0 112.317 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -98.57 -40.28 8.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.7 p -119.74 -44.12 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.14 31.74 1.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.403 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 13.2 tptp -92.04 111.16 22.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.558 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 1.8 m -62.11 163.21 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 44' ' ' CYS . 9.9 m-85 -163.67 128.39 2.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -58.69 -54.97 41.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.05 129.06 51.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -54.66 -46.54 74.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -43.71 -46.07 7.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -65.01 -48.87 72.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.9 tp -51.72 -54.08 32.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.9 mt -46.4 -45.5 17.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -56.12 -58.64 7.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 55' ' ' GLU . 3.4 t60 -44.03 -53.45 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' HIS . 43.7 mt-10 -37.54 -44.82 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.01 -44.97 12.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -55.3 -62.43 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.9 m120 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.882 0.372 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.45 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 9.8 m-85 -114.28 153.19 30.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 95.1 m -117.18 129.3 55.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.419 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.8 t -55.96 172.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.3 t -115.88 12.82 15.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.441 ' HB ' ' CD2' ' A' ' 89' ' ' HIS . 49.5 t -133.82 -44.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.0 p -117.15 -4.37 11.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 61.31 40.18 14.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.549 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -64.58 -174.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.6 p -127.72 126.98 42.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.558 ' CE1' HD13 ' A' ' 82' ' ' LEU . 14.9 m-85 -134.07 114.69 13.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -22.03 5.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.2 mtt-85 -134.47 166.38 23.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 80' ' ' MET . 7.3 tpt180 -73.35 -64.18 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.46 ' C ' ' O ' ' A' ' 79' ' ' ARG . 2.7 tpt -33.22 -53.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -46.01 -48.04 16.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.558 HD13 ' CE1' ' A' ' 76' ' ' PHE . 19.6 tp -56.84 -39.39 74.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.41 ' CB ' ' HG3' ' A' ' 105' ' ' MET . 10.8 mmm180 -62.82 -45.83 90.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.9 mt -67.43 -20.92 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -85.41 -40.31 16.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -48.72 -21.77 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.413 HG12 ' CE ' ' A' ' 105' ' ' MET . 4.1 m -55.07 -30.82 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.2 p -72.83 -13.63 61.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.441 ' CD2' ' HB ' ' A' ' 71' ' ' VAL . 82.3 m-70 -107.23 -32.77 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.6 p -82.62 -35.09 27.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.188 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.455 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 89.6 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.989 0.423 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -152.63 143.16 22.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.927 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.5 t -78.93 -175.5 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.6 t -126.27 -42.73 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 m -71.76 -40.05 69.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.518 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 30.2 p -113.01 -11.51 13.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 p 64.71 25.3 13.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.518 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.2 mm100 -59.56 -174.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.611 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 21.6 mt-30 -142.87 152.78 42.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 8.3 m-85 -152.43 164.75 36.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.413 ' CE ' HG12 ' A' ' 87' ' ' VAL . 6.1 mmt -99.67 -26.22 14.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -120.79 154.38 35.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 29.7 tttm -68.49 -51.1 46.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -57.34 -26.62 61.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.0 -30.19 66.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.493 HD11 ' CE1' ' A' ' 104' ' ' PHE . 18.1 tp -83.34 -45.28 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.468 ' NE2' ' HZ3' ' A' ' 107' ' ' LYS . 26.7 mt-30 -53.92 -52.31 60.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -59.44 -41.42 89.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.572 ' CE1' HD13 ' A' ' 117' ' ' LEU . 5.1 t60 -58.03 -39.01 77.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 35.5 mtp -78.09 -22.45 48.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 17.9 mt -84.29 -26.1 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.1 -56.32 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.572 HD13 ' CE1' ' A' ' 113' ' ' HIS . 4.5 mt -78.9 -52.92 7.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.868 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.446 ' CG1' ' HD2' ' A' ' 20' ' ' LYS . 35.4 m -73.0 168.13 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 0.0 111.157 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -138.1 145.05 41.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.443 ' C ' ' H ' ' A' ' 12' ' ' THR . 34.9 t -95.67 113.49 62.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.632 0.73 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 10.59 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.384 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.443 ' H ' ' C ' ' A' ' 10' ' ' CYS . 3.1 m -104.89 -58.73 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.8 p -115.57 10.5 15.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 58.55 30.23 19.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.413 ' NZ ' ' HB2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -92.89 113.17 25.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -84.24 160.17 20.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -139.7 158.41 44.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.413 HD23 ' CD2' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -67.93 -39.65 83.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.0 t -136.85 158.76 43.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' LEU . 1.8 mppt? -58.57 -49.38 77.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' LYS . 19.5 t80 -35.94 -56.07 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.413 ' CD2' HD23 ' A' ' 18' ' ' LEU . 11.7 m-85 -59.22 -36.28 75.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 20' ' ' LYS . 53.4 tp -66.16 -60.91 2.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.938 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -48.15 -36.01 12.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.811 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.462 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 53.9 t -75.07 -38.59 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -68.93 -54.21 16.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.832 0.349 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -155.74 131.19 9.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 t -54.98 112.69 4.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.59 4.33 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -98.88 -44.38 6.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.5 p -114.41 -42.83 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.66 38.02 2.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -100.21 114.04 27.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.9 p -60.41 155.17 18.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -154.45 115.17 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -41.15 -57.28 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 2.6 mmp_? -107.69 149.11 28.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 49' ' ' GLU . 12.0 ttpp -69.31 -44.67 71.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 48' ' ' LYS . 13.7 mt-10 -33.97 -55.5 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -61.49 -44.79 96.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 48' ' ' LYS . 17.9 tp -53.64 -44.71 69.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.1 mt -57.77 -45.38 86.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 54' ' ' HIS . 59.5 mt-10 -64.73 -65.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 53' ' ' GLU . 1.7 t60 -36.13 -38.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.07 -49.75 76.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 53' ' ' GLU . . . -80.99 -50.58 9.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.092 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.454 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 25.7 mmt180 -53.63 -64.17 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 70.8 m-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.88 0.371 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 9.3 m-85 -118.49 156.09 29.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 89.9 m -119.32 129.35 54.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.41 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.5 t -57.02 173.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.9 t -115.61 4.65 14.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.451 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 88.0 t -125.16 -48.69 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.0 p -113.1 -3.27 13.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 60.89 37.06 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 2.5 tp10 -61.14 -176.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.5 p -126.82 125.55 41.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 74' ' ' GLU . 8.4 m-85 -131.41 115.56 16.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.448 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -48.75 -34.82 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.448 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 21.2 mtp180 -124.12 171.4 9.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.561 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 17.0 tpt180 -76.59 -60.81 2.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.45 ' HE2' ' CD2' ' A' ' 84' ' ' LEU . 4.0 tpt -36.39 -48.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -48.53 -51.36 27.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.423 HD12 ' CE1' ' A' ' 76' ' ' PHE . 37.2 tp -53.87 -40.34 66.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -60.59 -43.85 96.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.45 ' CD2' ' HE2' ' A' ' 80' ' ' MET . 8.3 mt -71.91 -12.5 61.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.405 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 25.9 t60 -92.57 -43.65 9.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -48.09 -33.36 8.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.7 m -49.97 -33.64 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.1 p -65.88 -27.73 68.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.451 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 65.5 m-70 -84.58 -55.15 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 91' ' ' GLY . 6.6 t -65.46 -42.65 92.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.438 ' N ' HG23 ' A' ' 90' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.534 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.401 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 98.1 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.985 0.421 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 95' ' ' TYR . 12.7 mtmt -156.33 142.92 18.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.0 -174.95 4.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 m -124.28 -45.02 1.98 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.544 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.0 OUTLIER -70.61 -50.76 33.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.517 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.2 p -101.86 -13.14 17.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 65.4 m 64.46 31.88 12.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.517 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 3.5 mm-40 -61.27 -173.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.499 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 32.7 mt-30 -143.09 142.02 31.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 1.4 m-85 -144.19 167.13 23.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.5 mmt -107.13 -23.89 12.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -125.75 154.0 43.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -56.55 -67.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -42.58 -41.59 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -54.41 -38.33 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.491 HD11 ' CE1' ' A' ' 104' ' ' PHE . 21.4 tp -86.8 -55.49 3.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -47.68 -48.45 29.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.402 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 1.4 t -63.87 -39.91 95.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.611 ' CE1' HD13 ' A' ' 117' ' ' LEU . 3.6 t60 -59.88 -40.19 87.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.821 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 118' ' ' HIS . 47.7 mtp -76.09 -27.7 57.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.2 mt -80.1 -27.05 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.402 ' CD ' ' O ' ' A' ' 112' ' ' SER . 1.2 mptm? -88.61 -57.1 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.611 HD13 ' CE1' ' A' ' 113' ' ' HIS . 6.4 mt -80.18 -55.34 5.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.544 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 87.1 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -83.18 174.14 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.42 ' CD ' ' HE2' ' A' ' 16' ' ' LYS . 16.7 tt0 -146.86 141.24 26.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.433 ' C ' ' H ' ' A' ' 12' ' ' THR . 32.2 t -89.8 113.18 55.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 9.86 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.433 ' H ' ' C ' ' A' ' 10' ' ' CYS . 3.1 m -105.21 -60.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.0 p -112.23 12.2 20.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 57.01 29.18 15.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.483 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 14.6 ttmt -90.41 114.27 26.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HE2' ' CD ' ' A' ' 9' ' ' GLU . 26.7 mttt -91.59 157.93 16.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.483 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 29.7 m-85 -135.98 -179.89 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.589 HD23 ' CD2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -84.28 -38.18 20.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -136.95 175.06 9.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' LEU . 9.4 mmtp -69.58 -50.98 39.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' A' ' 20' ' ' LYS . 20.3 t80 -36.03 -56.69 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.589 ' CD2' HD23 ' A' ' 18' ' ' LEU . 13.0 m-85 -56.48 -38.37 71.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 20' ' ' LYS . 60.2 tp -67.59 -61.91 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -45.46 -41.89 9.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.4 t -69.53 -40.02 79.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.524 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 3.6 t60 -72.33 -64.08 1.02 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.524 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.8 0.333 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -148.55 138.94 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 t -54.91 108.06 1.05 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.62 0.724 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 2.73 3.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -99.8 -34.57 10.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.6 p -128.99 -46.4 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.29 49.3 0.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.44 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -104.21 121.83 44.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.536 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 26.7 p -72.3 155.61 40.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.536 ' CG ' ' O ' ' A' ' 44' ' ' CYS . 5.8 m-85 -174.97 110.49 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.953 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.42 -41.63 89.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -86.09 123.3 31.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -52.65 63.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -49.61 -56.38 10.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -46.14 -47.44 17.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.8 tp -61.4 -46.7 89.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.3 mt -55.97 -44.83 78.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.99 -53.09 62.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.487 ' CE1' ' O ' ' A' ' 58' ' ' ASN . 1.2 t60 -46.76 -54.15 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.462 ' N ' ' CD2' ' A' ' 54' ' ' HIS . 6.9 mt-10 -34.57 -41.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.09 -44.31 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -54.48 -63.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.487 ' O ' ' CE1' ' A' ' 54' ' ' HIS . 11.3 m120 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.41 ' HB ' ' O ' ' A' ' 76' ' ' PHE . 28.0 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.901 0.381 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.442 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 1.8 m-85 -107.33 169.47 8.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.1 m -133.77 129.53 36.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.1 t -62.43 170.05 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.4 t -112.73 5.24 17.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.43 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 92.6 t -124.29 -48.8 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.0 p -113.19 -3.22 13.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 60.07 37.15 21.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 3.0 tp10 -58.89 -179.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.4 p -127.39 122.82 34.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.593 ' CE1' HD13 ' A' ' 82' ' ' LEU . 10.5 m-85 -126.31 175.81 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.08 -27.78 6.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -119.56 158.61 25.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.435 ' NH1' ' HD3' ' A' ' 83' ' ' ARG . 1.9 tpm_? -70.98 -47.88 56.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.2 tpt -55.7 -46.49 77.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -45.98 -54.74 7.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.593 HD13 ' CE1' ' A' ' 76' ' ' PHE . 14.2 tp -51.4 -42.28 61.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.435 ' HD3' ' NH1' ' A' ' 79' ' ' ARG . 12.3 mmm180 -60.19 -41.37 92.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.4 mt -72.21 -14.37 61.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -91.93 -42.78 9.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -49.8 -32.86 14.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 m -51.05 -31.81 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.0 p -66.78 -28.05 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.43 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 73.6 m-70 -84.85 -54.39 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.2 t -65.64 -41.2 92.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.948 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.475 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 85.2 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.912 0.387 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.9 mtmm -154.18 145.84 23.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -81.62 -176.5 6.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.0 p -123.45 -44.18 2.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.6 m -70.97 -47.4 59.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.517 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 20.8 p -103.5 -19.27 14.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.2 m 69.47 31.76 3.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.517 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 5.0 mm100 -65.71 -175.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.419 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 31.6 mt-30 -141.59 146.69 36.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.493 ' CE1' HD11 ' A' ' 110' ' ' LEU . 18.0 m-85 -147.33 163.48 36.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.5 mmt -96.97 -28.08 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -118.09 152.37 35.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.475 ' HG3' ' CE1' ' A' ' 95' ' ' TYR . 6.2 ttpp -64.11 -54.64 30.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 6.2 pttm -51.43 -39.02 56.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.47 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 7.9 t0 -55.32 -36.94 66.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.493 HD11 ' CE1' ' A' ' 104' ' ' PHE . 26.6 tp -78.09 -51.61 10.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -49.01 -50.8 34.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 t -62.76 -40.7 98.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.566 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.2 t60 -59.51 -40.74 88.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 44.5 mtp -76.73 -25.9 54.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 21.0 mt -82.45 -23.17 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -93.34 -57.21 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.566 HD12 ' CE1' ' A' ' 113' ' ' HIS . 6.3 mt -77.8 -53.74 7.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.845 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.8 m -84.9 166.7 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 111.154 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -145.41 143.91 30.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.51 ' C ' ' H ' ' A' ' 12' ' ' THR . 24.3 t -88.2 115.67 63.89 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 19.56 0.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.51 ' H ' ' C ' ' A' ' 10' ' ' CYS . 6.6 m -118.25 -59.73 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.0 p -111.09 13.67 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 49.76 43.38 24.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.502 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 28.6 tttm -100.49 108.56 20.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -82.22 152.52 26.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.502 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 57.0 m-85 -133.04 -176.68 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.587 HD22 ' CD2' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -92.37 -39.62 11.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 t -130.9 144.47 51.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -52.08 -42.36 63.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.418 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 4.7 t80 -45.76 -34.97 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.587 ' CD2' HD22 ' A' ' 18' ' ' LEU . 7.5 m-85 -74.58 -34.83 62.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.2 tp -65.58 -54.8 22.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -55.26 -44.93 76.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.0 t -66.86 -37.9 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.131 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -69.35 -42.37 75.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 t30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.911 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.814 0.34 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.407 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 31.9 tt0 -164.74 128.55 2.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.48 ' N ' HD12 ' A' ' 51' ' ' LEU . 2.0 t -40.09 108.33 0.51 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.663 0.744 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 2.82 3.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.373 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.67 -41.76 6.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.0 p -116.71 -42.38 2.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.09 35.15 1.69 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.407 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 21.2 tptp -95.37 113.86 25.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.737 0.303 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 71.6 m -77.12 150.52 35.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -160.06 108.18 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -42.46 -50.93 5.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -83.81 122.72 29.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -55.18 -44.08 74.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -49.82 -59.65 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -45.96 -46.24 16.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.48 HD12 ' N ' ' A' ' 38' ' ' CYS . 21.1 tp -60.41 -54.17 48.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.3 mt -52.8 -52.7 55.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -48.4 -58.92 3.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.467 ' CD2' ' N ' ' A' ' 55' ' ' GLU . 2.3 t60 -47.1 -58.2 4.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.81 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.467 ' N ' ' CD2' ' A' ' 54' ' ' HIS . 13.2 mt-10 -33.73 -44.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.09 -45.76 11.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -54.4 -61.51 2.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 31.9 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.889 0.376 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.539 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 9.2 m-85 -117.95 147.92 42.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 94.5 m -112.72 130.44 56.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.454 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 5.9 t -58.01 171.72 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.7 t -111.59 -0.95 15.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.465 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 90.8 t -118.35 -50.17 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.8 p -111.91 -4.3 14.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.454 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 57.6 mm-40 61.75 33.69 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.581 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.8 tp10 -56.85 -176.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.1 p -126.36 126.63 44.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 9.5 m-85 -133.4 114.16 13.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -49.06 -33.55 11.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.443 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 35.8 mtt180 -124.36 169.25 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.539 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 2.6 tpp85 -75.41 -61.22 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' ARG . 3.8 tpt -35.58 -48.68 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -48.34 -52.08 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.421 HD11 ' CE1' ' A' ' 76' ' ' PHE . 42.5 tp -53.94 -39.81 66.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.3 mmm-85 -60.97 -42.89 99.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.402 ' CD2' ' HE2' ' A' ' 80' ' ' MET . 7.4 mt -73.48 -12.62 60.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.408 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 22.1 t60 -92.8 -43.19 9.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -48.7 -33.57 10.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.6 m -49.09 -34.27 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.9 p -65.44 -28.87 69.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.465 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 60.5 m-70 -83.83 -54.65 4.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.9 t -66.69 -41.31 88.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.488 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.474 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 90.1 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.985 0.421 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -154.32 144.4 21.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -76.01 -176.33 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.4 m -122.48 -46.54 2.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -68.01 -47.74 67.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.844 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.487 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.0 p -103.42 -22.52 13.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 t 73.81 31.57 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.487 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.7 mm100 -60.56 -174.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.52 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 33.8 mt-30 -140.93 142.72 34.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.4 m-85 -148.9 157.78 43.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.8 mmt -94.01 -27.84 16.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -116.1 149.59 38.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.474 ' HG3' ' CE1' ' A' ' 95' ' ' TYR . 1.7 ttpm? -63.78 -54.93 27.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -51.44 -36.83 45.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.436 ' N ' ' HG2' ' A' ' 108' ' ' LYS . 1.9 t70 -58.2 -37.25 74.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.4 tp -77.03 -51.21 11.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -48.23 -50.15 30.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.69 -41.06 98.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.602 ' CE1' HD12 ' A' ' 117' ' ' LEU . 5.2 t60 -59.26 -38.86 81.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.47 ' O ' ' C ' ' A' ' 118' ' ' HIS . 34.1 mtp -78.93 -29.26 44.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 21.2 mt -77.43 -29.83 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.02 -58.44 2.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.602 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.6 mt -77.28 -55.88 5.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.47 ' C ' ' O ' ' A' ' 114' ' ' MET . 92.0 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.44 HG13 ' CD ' ' A' ' 20' ' ' LYS . 15.6 m -88.84 172.35 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.117 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.405 ' CB ' ' HG2' ' A' ' 16' ' ' LYS . 13.6 tt0 -143.97 144.03 31.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.408 ' C ' ' H ' ' A' ' 12' ' ' THR . 36.2 t -92.94 112.07 54.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.671 0.748 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 6.79 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.649 2.233 . . . . 0.0 112.401 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.408 ' H ' ' C ' ' A' ' 10' ' ' CYS . 3.4 m -100.16 -58.78 1.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.2 p -115.82 11.96 15.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 59.24 27.19 16.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.516 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 71.5 tttt -88.37 111.06 21.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HG2' ' CB ' ' A' ' 9' ' ' GLU . 32.0 mtmt -90.61 157.67 17.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.516 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 32.8 m-85 -135.65 -176.53 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.452 HD23 ' CD2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -85.2 -39.95 17.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.9 t -135.16 171.44 14.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' LEU . 19.5 mmtt -67.48 -53.19 30.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.426 ' CD1' ' HE3' ' A' ' 24' ' ' LYS . 75.3 t80 -37.69 -52.53 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.452 ' CD2' HD23 ' A' ' 18' ' ' LEU . 7.3 m-85 -57.72 -37.84 74.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 26' ' ' HIS . 12.6 tp -67.19 -64.46 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 8.8 pttp -43.37 -39.37 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.456 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 98.3 t -68.96 -30.92 48.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' LEU . 4.8 t60 -82.25 -36.96 26.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.5 t30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.821 0.343 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.412 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 35.3 tt0 -167.0 140.84 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.476 ' CA ' HD11 ' A' ' 51' ' ' LEU . 3.2 t -58.56 109.6 1.97 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.638 0.732 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 2.51 3.47 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.631 2.22 . . . . 0.0 112.338 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -100.98 -38.14 8.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.2 p -122.49 -44.59 2.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.63 31.89 1.71 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.412 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 1.2 tptm -86.19 105.93 16.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.745 0.307 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.9 p -71.88 147.95 46.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -157.88 127.11 5.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -52.06 -56.6 13.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.57 131.12 35.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -66.37 -36.8 83.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -62.26 -54.51 39.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -44.16 -52.29 7.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.476 HD11 ' CA ' ' A' ' 38' ' ' CYS . 12.2 tp -55.88 -54.04 49.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.4 mt -43.72 -43.1 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.6 -62.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -39.99 -49.3 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -43.33 -43.09 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.71 -46.02 10.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -53.97 -60.66 3.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.2 t30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 28.9 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.84 0.352 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 11.5 m-85 -114.82 153.2 30.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 89.0 m -117.1 129.67 56.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.41 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 4.7 t -56.25 173.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.8 t -114.74 4.75 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.442 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 97.6 t -126.5 -47.95 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.466 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.4 p -113.91 -0.95 13.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.41 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 50.5 mm-40 57.58 37.18 27.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.586 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.4 tp10 -60.34 -175.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.9 p -126.09 127.0 45.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 16.1 m-85 -133.9 119.3 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -32.6 42.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.833 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -126.47 170.29 12.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.537 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 6.8 tpt180 -76.37 -60.26 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 79' ' ' ARG . 2.5 tpt -36.4 -49.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -49.77 -47.97 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.556 HD13 ' CE1' ' A' ' 76' ' ' PHE . 19.1 tp -57.31 -38.25 73.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -62.25 -44.19 97.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.0 mt -71.48 -14.8 62.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -88.67 -41.96 12.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.41 -27.16 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.451 HG12 ' CE ' ' A' ' 105' ' ' MET . 4.8 m -53.41 -34.05 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.3 t -65.55 -29.96 70.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.442 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 71.1 m-70 -84.25 -55.2 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.5 t -68.28 -42.01 80.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.453 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 86.1 m-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.999 0.428 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -152.89 145.36 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.05 -176.94 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.8 t -123.39 -45.66 2.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.6 m -67.92 -47.94 67.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.524 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 20.0 p -104.25 -16.89 15.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 22.8 m 67.91 31.95 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.524 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.3 mm-40 -64.44 -173.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.513 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 30.1 mt-30 -142.29 145.3 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 6.0 m-85 -148.18 161.39 41.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.451 ' CE ' HG12 ' A' ' 87' ' ' VAL . 4.7 mmt -96.54 -26.46 15.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -116.76 159.98 21.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 69.2 tttt -74.82 -49.92 18.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 11.3 ptpt -56.9 -36.94 70.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.446 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 3.0 t70 -58.8 -36.09 73.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 24.3 tp -76.71 -51.79 10.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -48.1 -50.6 27.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.3 t -61.76 -43.67 98.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.579 ' CE1' HD12 ' A' ' 117' ' ' LEU . 3.6 t60 -58.32 -37.91 76.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.46 ' O ' ' C ' ' A' ' 118' ' ' HIS . 42.7 mtp -78.95 -24.92 43.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 19.3 mt -79.43 -30.99 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -86.82 -59.38 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.579 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.0 mt -74.56 -54.89 6.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.46 ' C ' ' O ' ' A' ' 114' ' ' MET . 74.6 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.1 m -97.15 175.12 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -145.73 137.76 25.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.9 t -88.8 114.71 61.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.632 0.729 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 5.15 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.331 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 m -100.67 -58.5 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.151 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.2 p -115.21 14.85 17.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 53.04 27.86 6.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -89.85 109.46 20.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -85.15 159.15 20.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 26' ' ' HIS . 60.0 m-85 -137.42 176.47 8.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mp -69.88 -42.17 73.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.1 t -146.01 172.99 12.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' LEU . 19.6 mmmt -60.1 -45.32 93.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -39.96 -52.22 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -63.84 -30.23 71.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.951 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' LYS . 45.8 tp -71.15 -59.99 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 17.4 ptpt -48.49 -40.16 25.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.431 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 91.1 t -72.19 -38.16 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' ASN . 5.0 t60 -72.41 -62.84 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.425 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 25.0 tt0 -151.52 127.85 10.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.419 ' N ' HD11 ' A' ' 51' ' ' LEU . 3.5 t -45.15 110.42 1.09 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.65 0.738 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 1.73 4.16 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.744 2.296 . . . . 0.0 112.365 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -100.69 -47.02 4.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.9 p -110.18 -43.07 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.25 44.31 1.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.504 ' HE2' ' N ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -103.82 101.97 11.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.3 . . . . 0.0 110.859 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.504 ' N ' ' HE2' ' A' ' 43' ' ' LYS . 26.3 p -49.54 171.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.486 ' CD2' ' O ' ' A' ' 44' ' ' CYS . 9.9 m-85 -173.49 126.8 0.41 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -55.0 -47.0 75.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -109.15 152.78 24.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -75.55 -44.13 45.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -48.58 -56.17 9.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -49.91 -47.97 51.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.419 HD11 ' N ' ' A' ' 38' ' ' CYS . 15.4 tp -52.19 -46.21 65.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.4 mt -53.81 -50.22 66.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -50.43 -44.88 55.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.489 ' CD2' ' C ' ' A' ' 54' ' ' HIS . 0.8 OUTLIER -62.92 -49.53 74.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -39.54 -43.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.05 -43.86 11.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -65.24 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.7 t30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.941 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.844 0.354 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.535 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 21.0 m-85 -118.17 148.85 41.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.9 m -112.18 128.53 56.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.423 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 4.7 t -55.57 173.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.1 t -115.03 4.86 14.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.806 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.451 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 87.1 t -126.18 -48.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.4 p -113.07 -2.24 14.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.423 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 24.3 mm-40 60.5 34.93 20.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.596 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 1.1 tp10 -58.41 -178.58 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.7 p -124.71 126.79 46.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.596 ' CZ ' ' HB3' ' A' ' 74' ' ' GLU . 10.7 m-85 -132.93 118.28 18.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -32.3 49.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 -123.21 168.97 11.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.535 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 9.1 tpt180 -76.41 -63.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 79' ' ' ARG . 3.4 tpt -36.59 -47.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -47.96 -52.4 19.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.446 HD11 ' CE1' ' A' ' 76' ' ' PHE . 20.2 tp -54.76 -36.85 65.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -62.43 -44.56 96.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.2 mt -70.82 -15.99 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.409 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 22.9 t60 -88.2 -40.09 13.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.25 -32.65 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.9 m -52.4 -32.08 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.4 p -65.82 -28.84 69.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.451 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 62.8 m-70 -82.71 -55.91 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.2 t -68.9 -38.51 79.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.948 0.404 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -152.02 151.54 31.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.1 -175.25 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.8 p -122.9 -45.8 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -69.65 -47.8 62.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.516 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 18.6 p -103.93 -15.39 15.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.5 m 64.66 33.75 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.516 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.0 mm-40 -64.03 -173.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.484 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 35.4 mt-30 -140.51 142.56 35.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 5.6 m-85 -147.26 160.42 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.1 mmt -99.44 -24.56 14.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -116.65 155.6 28.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -71.69 -49.98 34.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 4.7 pttm -56.15 -36.23 68.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.934 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 7.0 t0 -60.19 -36.96 78.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 24.5 tp -75.94 -49.15 18.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -52.49 -50.81 62.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.412 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 2.4 t -62.64 -38.51 90.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.585 ' CE1' HD11 ' A' ' 117' ' ' LEU . 5.3 t60 -63.73 -39.44 94.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 118' ' ' HIS . 39.4 mtp -76.57 -32.64 58.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.2 mt -76.98 -29.79 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.412 ' CD ' ' O ' ' A' ' 112' ' ' SER . 3.2 mptt -86.79 -58.28 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.585 HD11 ' CE1' ' A' ' 113' ' ' HIS . 5.8 mt -75.43 -55.29 5.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 114' ' ' MET . 75.4 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.4 m -99.44 170.49 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 111.153 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -136.57 139.4 42.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -90.95 115.23 63.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.639 0.733 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 5.63 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -101.67 -56.62 2.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 p -117.05 15.38 15.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 51.67 29.04 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.814 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -91.79 113.9 26.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -81.84 161.9 23.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -143.62 169.34 17.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.427 HD11 ' N ' ' A' ' 18' ' ' LEU . 9.4 mp -61.09 -53.5 56.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.947 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 t -146.34 167.24 24.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' O ' ' C ' ' A' ' 21' ' ' TYR . 2.5 mptp? -43.75 -58.16 2.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.475 ' C ' ' O ' ' A' ' 20' ' ' LYS . 8.8 t80 -32.13 -60.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -55.89 -46.81 78.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' LYS . 57.4 tp -52.75 -49.13 66.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -54.75 -66.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.7 t -42.84 -38.22 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.403 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 4.7 t60 -69.7 -60.66 2.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.413 ' ND2' ' C ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.848 0.356 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.438 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 22.0 tt0 -125.27 148.41 48.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.427 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 4.1 t -64.32 114.51 14.36 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.654 0.74 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -10.91 29.67 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.318 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -86.81 -46.68 9.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 38' ' ' CYS . 28.3 p -111.59 -47.26 3.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.24 38.48 1.36 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.438 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 13.4 tptm -98.08 118.82 35.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.8 p -78.53 158.45 28.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -160.92 109.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -40.61 -60.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -93.56 120.11 33.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' GLU . 38.2 tttt -46.45 -45.97 18.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' LYS . 23.7 tt0 -36.22 -49.63 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -59.58 -57.18 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.2 tp -45.58 -56.45 5.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.9 mt -43.96 -50.9 8.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -55.25 -66.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 58' ' ' ASN . 1.3 t60 -37.58 -48.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -45.92 -43.64 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.24 -48.78 8.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -53.88 -60.5 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 54' ' ' HIS . 19.3 t-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.843 0.354 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 11.1 m-85 -112.51 151.8 29.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.5 m -115.49 123.08 47.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.417 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 4.5 t -47.36 175.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.6 p -114.55 4.41 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.466 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 85.5 t -127.36 -47.85 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.129 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.7 p -113.89 0.09 14.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.417 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 22.6 mm-40 58.69 32.74 22.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.582 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -53.22 -174.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.869 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.6 p -127.7 126.17 41.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.154 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.582 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 13.5 m-85 -134.61 118.72 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -52.2 -32.84 38.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.402 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 19.9 mtp85 -125.67 167.46 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.554 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 15.9 ttp180 -72.52 -64.79 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 79' ' ' ARG . 4.6 tpt -33.07 -48.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -49.74 -49.03 49.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.509 HD13 ' CE1' ' A' ' 76' ' ' PHE . 13.8 tp -55.29 -35.35 64.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -66.48 -45.1 80.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.04 -14.12 62.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -89.54 -42.07 11.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.419 ' HA ' ' HE2' ' A' ' 86' ' ' MET . 0.2 OUTLIER -50.05 -29.92 9.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.451 HG12 ' CE ' ' A' ' 105' ' ' MET . 5.5 m -49.41 -34.51 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.2 p -68.61 -27.69 66.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.466 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 48.6 m-70 -83.73 -51.89 6.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.5 t -74.16 -30.12 62.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 72.7 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.963 0.411 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.57 152.56 31.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -84.85 -179.03 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 63.5 m -121.47 -44.52 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -69.91 -48.64 57.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.808 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.496 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 22.8 p -102.14 -18.31 15.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.6 m 69.25 30.41 4.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.496 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.6 mm-40 -62.66 -174.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.478 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 33.0 mt-30 -140.87 143.97 35.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 8.0 m-85 -147.17 159.75 43.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.451 ' CE ' HG12 ' A' ' 87' ' ' VAL . 5.1 mmt -95.26 -25.57 16.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -118.25 157.03 27.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 48.8 tttt -71.59 -51.22 24.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 35.8 pttt -55.08 -37.5 66.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.45 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 3.0 t70 -58.13 -37.8 75.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.2 tp -75.55 -51.9 11.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -49.28 -50.2 40.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 t -62.84 -40.81 98.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.579 ' CE1' HD13 ' A' ' 117' ' ' LEU . 4.6 t60 -60.91 -38.1 84.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 45.6 mtp -78.93 -29.57 44.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.1 mt -78.26 -25.11 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -91.74 -57.38 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.579 HD13 ' CE1' ' A' ' 113' ' ' HIS . 5.7 mt -77.09 -54.31 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.897 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.4 m -78.4 174.47 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.788 0.328 . . . . 0.0 111.114 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -140.65 145.63 36.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.413 ' C ' ' H ' ' A' ' 12' ' ' THR . 39.0 t -96.18 115.31 65.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 8.34 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.413 ' H ' ' C ' ' A' ' 10' ' ' CYS . 4.6 m -105.01 -61.0 1.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.3 p -110.52 13.0 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 54.98 28.09 10.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -88.58 122.37 31.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -95.87 154.57 17.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -139.17 172.37 12.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.7 mt -59.99 -58.59 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 m -131.38 165.26 23.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' CG ' ' HE2' ' A' ' 24' ' ' LYS . 1.7 tppp? -56.9 -37.83 71.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -45.46 -54.13 7.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -61.75 -38.87 89.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.0 tp -59.05 -56.24 24.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.402 ' HE2' ' CG ' ' A' ' 20' ' ' LYS . 50.7 mttm -46.67 -59.1 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.3 t -51.31 -36.61 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.447 ' O ' ' C ' ' A' ' 27' ' ' ASN . 3.9 t60 -69.94 -58.3 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.799 0.333 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.446 ' HG2' ' N ' ' A' ' 38' ' ' CYS . 36.7 tt0 -145.03 160.75 40.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.446 ' N ' ' HG2' ' A' ' 37' ' ' GLU . 4.6 t -79.94 112.7 32.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.681 0.753 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 1.02 4.83 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -99.66 -41.47 7.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.8 p -120.08 -40.62 2.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.6 33.31 2.91 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.436 ' HD2' ' CZ ' ' A' ' 45' ' ' TYR . 5.5 tmtm? -94.98 111.74 23.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.1 m -67.59 158.1 32.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.436 ' CZ ' ' HD2' ' A' ' 43' ' ' LYS . 18.8 m-85 -150.1 146.16 26.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -62.06 -54.61 39.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -111.68 150.5 30.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' GLU . 24.2 tttt -56.96 -53.71 54.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' LYS . 3.3 mp0 -37.66 -59.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -47.77 -46.0 29.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.412 HD11 ' C ' ' A' ' 37' ' ' GLU . 8.1 tp -62.01 -50.58 71.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.1 mt -53.05 -47.98 68.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 56' ' ' ALA . 59.7 mt-10 -58.75 -66.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 53' ' ' GLU . 3.0 t60 -35.61 -42.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -59.79 -48.9 79.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 53' ' ' GLU . . . -75.61 -54.24 7.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.14 -61.58 2.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.2 m120 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.95 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.878 0.371 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 26.8 m-85 -119.34 147.82 43.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.0 m -110.59 126.2 54.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.421 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.2 t -50.16 176.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 m -117.16 4.58 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.44 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 92.0 t -127.96 -47.38 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.477 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.6 p -113.54 -0.47 14.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 58.28 34.81 24.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -57.27 -176.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.2 p -125.98 123.27 38.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 74' ' ' GLU . 9.2 m-85 -129.79 117.62 20.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -52.19 -33.27 40.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.408 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 41.9 mtt-85 -123.66 165.93 16.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.566 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 12.5 tpt180 -72.72 -61.42 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.437 ' HE1' ' CD2' ' A' ' 84' ' ' LEU . 2.6 tpt -35.92 -48.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -48.11 -51.78 23.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.536 HD13 ' CE1' ' A' ' 76' ' ' PHE . 18.5 tp -52.92 -37.11 60.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -64.74 -45.24 87.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.437 ' CD2' ' HE1' ' A' ' 80' ' ' MET . 6.4 mt -70.57 -16.38 62.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -87.21 -43.3 12.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.413 ' HE2' ' SG ' ' A' ' 69' ' ' CYS . 0.1 OUTLIER -49.62 -32.54 13.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.3 m -47.64 -35.92 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -66.38 -30.09 70.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.44 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 59.3 m-70 -81.56 -53.06 6.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.0 t -67.82 -40.35 83.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 83.7 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.965 0.412 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -155.08 146.24 22.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -79.3 -174.59 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.9 m -124.38 -45.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.3 t -70.73 -49.56 45.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.503 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.3 p -101.47 -15.73 17.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.0 m 66.02 31.98 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.503 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.3 mm-40 -62.32 -174.18 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.553 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 30.9 mt-30 -142.37 143.92 32.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.553 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.0 m-85 -147.11 165.52 29.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.1 mmt -99.87 -26.8 13.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -117.08 157.24 26.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 80.0 tttt -72.26 -50.86 23.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 33.9 pttt -55.58 -38.21 69.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.29 -36.02 72.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.438 HD12 ' CE1' ' A' ' 104' ' ' PHE . 19.6 tp -76.13 -51.15 12.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -49.29 -50.04 40.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.422 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 2.3 t -62.04 -41.2 97.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.569 ' CE1' HD13 ' A' ' 117' ' ' LEU . 4.2 t60 -59.42 -38.76 81.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.875 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.454 ' O ' ' C ' ' A' ' 118' ' ' HIS . 42.3 mtp -77.29 -31.66 54.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.2 mt -76.46 -28.75 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.422 ' CD ' ' O ' ' A' ' 112' ' ' SER . 0.5 OUTLIER -86.96 -56.63 3.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.802 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.569 HD13 ' CE1' ' A' ' 113' ' ' HIS . 5.9 mt -79.28 -56.13 4.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 95.4 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.5 m -82.22 -179.62 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -152.2 148.74 27.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.46 ' C ' ' H ' ' A' ' 12' ' ' THR . 3.5 t -88.25 117.15 68.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.641 0.734 . . . . 0.0 110.85 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 12.34 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.721 2.28 . . . . 0.0 112.334 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.46 ' H ' ' C ' ' A' ' 10' ' ' CYS . 50.6 m -120.71 -58.39 1.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.9 p -100.84 -8.81 22.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 64.19 43.14 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.554 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 14.1 ttmm -103.79 109.31 20.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -77.33 140.22 39.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.554 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 70.9 m-85 -128.0 159.41 35.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.8 mt -49.55 -64.83 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 t -125.34 151.13 46.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' A' ' 23' ' ' LEU . 9.1 tppt? -44.87 -46.2 10.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' LYS . 36.7 t80 -37.27 -39.53 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -76.95 -36.88 56.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 20' ' ' LYS . 27.9 tp -67.54 -46.24 73.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -61.95 -38.49 88.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.6 t -73.07 -38.52 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -70.31 -48.55 56.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.881 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.814 0.34 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 26.1 tt0 -154.52 156.48 36.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.1 t -76.55 113.05 25.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.582 0.706 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 1.88 4.05 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.623 2.215 . . . . 0.0 112.353 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -98.02 -38.55 9.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.4 p -124.56 -46.32 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.8 46.33 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.431 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 13.6 tptm -102.43 125.12 49.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.73 0.3 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 20.3 p -72.55 147.19 46.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -152.22 116.64 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -44.0 -57.64 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -97.82 149.3 22.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' GLU . 9.3 ttpp -73.94 -53.23 10.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' LYS . 14.6 mm-40 -36.55 -59.02 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -53.25 -46.7 69.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.2 tp -57.09 -52.46 65.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.3 mt -46.86 -40.21 13.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 54' ' ' HIS . 32.8 mt-10 -63.91 -65.17 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' GLU . 2.6 t60 -36.14 -48.7 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -40.26 -45.72 2.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -93.14 -43.47 8.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -54.25 -62.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.846 0.355 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 9.9 m-85 -116.07 150.39 37.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.9 m -115.05 130.93 57.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.413 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.7 t -60.72 172.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.4 t -114.84 5.99 15.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.564 HG12 ' CE1' ' A' ' 89' ' ' HIS . 87.0 t -126.48 -48.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.452 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.4 p -114.24 -1.89 13.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 58.03 39.65 26.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.579 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.2 tp10 -64.1 -176.52 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.4 p -127.91 125.68 40.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 8.2 m-85 -130.84 120.89 24.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -31.52 63.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -120.96 174.5 6.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 4.2 tpt180 -84.76 -54.44 4.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.425 ' HE3' ' CD2' ' A' ' 84' ' ' LEU . 3.1 tpt -44.33 -48.95 9.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -47.6 -48.17 28.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.566 HD12 ' CE1' ' A' ' 76' ' ' PHE . 18.7 tp -55.22 -42.97 74.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -58.6 -46.13 87.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.425 ' CD2' ' HE3' ' A' ' 80' ' ' MET . 6.7 mt -69.18 -13.29 62.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.406 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 30.9 t60 -90.25 -43.52 10.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.809 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -30.93 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.0 m -50.43 -34.32 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.5 t -65.77 -29.05 69.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.564 ' CE1' HG12 ' A' ' 71' ' ' VAL . 69.7 m-70 -85.01 -54.65 4.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.9 t -69.22 -42.77 75.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.959 0.409 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -154.9 155.26 33.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -88.93 -175.58 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.7 t -123.79 -45.41 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 m -69.77 -51.03 37.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.428 ' SG ' ' HG3' ' A' ' 102' ' ' GLN . 31.8 p -99.32 -21.77 15.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 6.7 m 74.93 27.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.528 ' OE1' ' CZ ' ' A' ' 104' ' ' PHE . 1.2 mt-30 -60.3 -173.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.555 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 27.5 mt-30 -140.0 152.63 46.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 9.3 m-85 -158.93 156.23 29.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.8 mtm -103.1 -20.22 14.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -117.83 144.72 45.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -56.34 -57.52 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 16.4 pttm -52.58 -37.09 57.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.473 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 36.1 t0 -56.11 -38.97 71.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 24.1 tp -83.17 -56.43 3.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -48.13 -49.86 30.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -63.25 -39.55 94.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.581 ' CE1' HD12 ' A' ' 117' ' ' LEU . 3.3 t60 -59.97 -40.7 89.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 118' ' ' HIS . 47.7 mtp -75.38 -28.8 59.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 19.1 mt -78.84 -27.67 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.165 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -90.73 -56.23 3.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.581 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.5 mt -76.69 -54.11 7.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 114' ' ' MET . 75.8 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.6 m -86.57 -175.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -145.7 129.96 17.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 14' ' ' HIS . 42.4 t -79.83 112.93 33.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.654 0.74 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 3.01 3.01 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -98.55 -52.88 3.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.416 ' SG ' ' CB ' ' A' ' 15' ' ' LYS . 27.9 p -121.5 14.82 11.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 10' ' ' CYS . 56.0 m-70 54.19 25.0 5.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.427 ' HG2' ' CZ ' ' A' ' 17' ' ' PHE . 1.1 ttmp? -88.86 109.67 20.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -79.73 158.81 26.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.427 ' CZ ' ' HG2' ' A' ' 15' ' ' LYS . 73.7 m-85 -139.36 179.27 6.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 mp -68.04 -48.1 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.2 t -147.77 169.57 19.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' LEU . 2.7 mmmm -52.35 -49.0 65.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' LYS . 8.7 t80 -36.72 -43.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -70.8 -40.62 72.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.961 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 20' ' ' LYS . 65.9 tp -65.49 -52.51 52.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.417 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 3.2 ptpp? -59.88 -23.4 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.5 t -93.11 -23.14 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -93.76 -19.94 20.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -166.79 138.36 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.464 ' N ' HD11 ' A' ' 51' ' ' LEU . 4.4 t -53.49 110.18 1.9 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 1.68 4.16 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.275 . . . . 0.0 112.37 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -100.4 -41.52 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.2 p -117.9 -42.25 2.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.56 40.45 1.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.68 123.27 42.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.727 0.299 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.544 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 26.3 p -66.64 158.93 28.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 44' ' ' CYS . 23.8 m-85 -163.98 110.74 1.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -44.86 -50.93 10.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -104.38 120.83 42.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -51.6 -48.69 63.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -40.28 -58.87 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -50.08 -56.99 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.527 HD12 ' CD2' ' A' ' 45' ' ' TYR . 35.6 tp -43.32 -59.07 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.2 mt -42.61 -43.63 3.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -63.47 -40.59 97.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -58.26 -52.85 63.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.817 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -39.52 -45.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.15 -47.08 13.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -54.46 -64.29 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.0 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.867 0.365 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -109.36 165.25 11.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 92.3 m -127.79 128.32 45.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.418 ' SG ' ' CE ' ' A' ' 86' ' ' MET . 6.5 t -58.33 170.28 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.2 t -113.27 6.91 17.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.43 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 60.1 t -125.24 -49.17 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.455 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.9 p -112.36 -6.13 14.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 63.23 35.85 12.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.565 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 3.2 tp10 -60.42 -178.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.8 p -125.47 126.64 45.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.592 ' CE1' HD13 ' A' ' 82' ' ' LEU . 9.7 m-85 -128.81 157.53 41.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -93.43 -30.48 15.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.408 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 23.3 mtt180 -127.04 163.58 23.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -67.74 -56.28 9.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.6 tpt -44.78 -50.06 10.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -44.28 -50.03 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.592 HD13 ' CE1' ' A' ' 76' ' ' PHE . 26.0 tp -59.25 -37.86 78.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -63.02 -40.15 96.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 mt -74.72 -14.19 60.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.404 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 21.4 t60 -91.94 -41.44 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.418 ' CE ' ' SG ' ' A' ' 69' ' ' CYS . 0.1 OUTLIER -51.35 -33.17 28.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.1 m -50.07 -33.81 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.2 p -65.26 -30.07 70.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.43 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 61.9 m-70 -82.02 -54.47 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.2 t -68.02 -47.85 67.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.561 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 85.9 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.971 0.415 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -156.62 147.71 22.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.5 t -81.17 -175.52 5.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.4 t -123.98 -47.4 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -67.1 -50.12 62.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.438 ' SG ' ' HG3' ' A' ' 102' ' ' GLN . 31.3 p -99.05 -24.15 15.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m 74.54 30.54 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.438 ' HG3' ' SG ' ' A' ' 100' ' ' CYS . 1.8 mt-30 -65.75 -175.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.615 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 31.5 mt-30 -139.72 149.51 43.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.615 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.0 m-85 -148.86 161.1 42.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.7 mmt -96.0 -27.62 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -117.17 159.52 22.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.561 ' HG3' ' CE1' ' A' ' 95' ' ' TYR . 6.5 ttpp -71.26 -59.45 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -35.47 22.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -57.62 -38.04 74.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.4 tp -77.63 -52.04 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -47.18 -49.94 21.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.454 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 1.4 t -63.53 -41.12 98.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.572 ' CE1' HD11 ' A' ' 117' ' ' LEU . 3.1 t60 -59.16 -39.42 82.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 118' ' ' HIS . 47.9 mtp -76.65 -30.71 56.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 19.1 mt -77.49 -28.56 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.454 ' CD ' ' O ' ' A' ' 112' ' ' SER . 1.1 mptm? -87.21 -57.57 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.572 HD11 ' CE1' ' A' ' 113' ' ' HIS . 4.8 mt -76.52 -55.56 5.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' MET . 69.2 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.6 m -77.11 -177.47 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -143.77 134.2 24.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 14' ' ' HIS . 43.9 t -83.14 114.51 53.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.647 0.736 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 5.05 1.84 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -99.66 -52.84 3.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.4 p -122.94 13.46 9.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 10' ' ' CYS . 72.1 m-70 57.41 24.96 10.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.415 ' HG2' ' CZ ' ' A' ' 17' ' ' PHE . 25.2 ttmt -88.71 113.62 24.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -82.55 162.54 21.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.433 ' CZ ' ' CG ' ' A' ' 26' ' ' HIS . 88.3 m-85 -143.82 175.57 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.3 mt -70.53 -57.31 4.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.9 t -129.33 163.45 25.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -58.23 -31.49 67.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -52.1 -38.7 58.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -79.22 -29.75 42.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.96 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.3 tp -70.71 -47.93 57.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -61.13 -39.59 90.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.7 t -73.23 -41.41 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.433 ' CG ' ' CZ ' ' A' ' 17' ' ' PHE . 4.2 t60 -67.18 -41.93 85.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.6 t30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.788 0.328 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 44' ' ' CYS . 40.4 tt0 -165.6 150.52 8.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.1 t -68.9 113.36 15.67 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.717 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.22 4.66 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -101.03 -45.68 5.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.8 p -113.38 -39.59 4.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.54 38.94 2.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.511 ' HD3' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -99.01 100.25 11.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.732 0.301 . . . . 0.0 110.925 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.534 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 25.9 p -44.63 167.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.534 ' CG ' ' O ' ' A' ' 44' ' ' CYS . 9.7 m-85 -175.25 111.04 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.99 -41.22 97.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -85.84 112.49 21.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -49.55 -56.54 9.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -47.37 -57.21 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -46.5 -48.6 19.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.9 tp -55.36 -53.37 57.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 74.0 mt -54.59 -42.19 70.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 56' ' ' ALA . 19.2 mt-10 -61.41 -64.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 53' ' ' GLU . 1.2 t60 -35.58 -46.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.19 -45.52 53.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' GLU . . . -83.3 -49.42 9.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.055 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -64.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.914 0.388 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -108.63 168.13 9.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.0 m -132.03 124.98 30.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 7.3 t -56.17 169.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.9 t -112.9 5.7 17.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.513 ' CG1' ' CE1' ' A' ' 89' ' ' HIS . 98.4 t -123.29 -48.88 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.8 p -112.91 -6.24 13.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 63.47 35.63 11.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.582 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.8 tp10 -59.6 -178.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.3 p -126.89 127.54 45.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.592 ' CE1' HD13 ' A' ' 82' ' ' LEU . 9.4 m-85 -130.21 158.16 40.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -91.16 -32.3 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.427 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 69.6 mtt180 -127.61 160.25 32.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -62.36 -61.35 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.5 tpt -38.86 -50.8 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -43.63 -50.13 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.592 HD13 ' CE1' ' A' ' 76' ' ' PHE . 21.3 tp -55.28 -42.81 74.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -58.6 -51.76 68.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.6 mt -60.61 -19.17 57.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -89.62 -42.08 11.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -50.79 -34.11 26.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.4 m -48.93 -33.27 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 m -66.34 -29.65 69.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.513 ' CE1' ' CG1' ' A' ' 71' ' ' VAL . 68.1 m-70 -83.3 -54.37 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 t -67.2 -40.59 86.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.949 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 87.0 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.905 0.383 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.406 ' NZ ' ' HB2' ' A' ' 96' ' ' LYS . 1.2 mtmp? -153.21 147.82 26.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.61 -178.24 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 t -118.42 -46.46 2.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.1 t -68.82 -54.38 16.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.407 ' SG ' ' HG3' ' A' ' 102' ' ' GLN . 32.0 p -94.11 -21.39 19.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.5 m 69.89 27.88 4.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.407 ' HG3' ' SG ' ' A' ' 100' ' ' CYS . 4.3 mt-30 -63.27 -175.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.517 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 34.9 mt-30 -136.81 152.04 49.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 5.4 m-85 -149.66 160.22 43.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.8 mmt -97.35 -26.36 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -122.61 151.84 41.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 20.3 tttp -64.74 -49.04 72.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -58.02 -27.19 63.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.28 -32.44 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.488 HD11 ' CE1' ' A' ' 104' ' ' PHE . 16.5 tp -80.49 -48.82 12.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -51.38 -52.3 47.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.408 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 2.9 t -61.53 -36.56 80.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.573 ' CE1' HD11 ' A' ' 117' ' ' LEU . 2.7 t60 -63.25 -39.91 95.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 118' ' ' HIS . 38.4 mtp -75.86 -26.6 57.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.9 mt -80.64 -27.43 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 112' ' ' SER . 5.5 mptt -90.24 -59.29 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.573 HD11 ' CE1' ' A' ' 113' ' ' HIS . 7.2 mt -73.42 -52.58 13.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' MET . 84.2 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.6 m -66.81 167.74 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -135.92 136.9 40.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.0 t -85.8 115.55 62.12 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 4.8 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.364 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -100.06 -54.57 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.101 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.2 p -119.68 12.97 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 54.84 28.21 10.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.475 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 10.2 ttmm -90.05 110.7 21.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -85.46 158.88 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.475 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 56.0 m-85 -138.2 -179.58 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mp -73.56 -52.34 13.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.52 173.99 11.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -59.38 -47.63 84.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -38.07 -53.77 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -59.38 -50.84 72.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.6 tp -53.51 -41.4 66.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -62.72 -51.01 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.4 -34.91 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.484 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 4.3 t60 -73.36 -63.54 1.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.484 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CE2' ' HE3' ' A' ' 48' ' ' LYS . 84.5 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.79 0.328 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.411 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 49.4 tt0 -158.49 128.83 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.467 ' N ' HD11 ' A' ' 51' ' ' LEU . 4.3 t -47.8 110.92 1.5 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.605 0.716 . . . . 0.0 110.833 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 0.54 5.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.391 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -97.96 -42.08 7.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.9 p -117.75 -47.0 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.64 36.01 0.94 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.411 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 13.8 tptm -93.72 114.86 27.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.2 p -68.58 149.43 49.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -155.04 119.4 4.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -51.01 -55.43 17.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -97.64 134.25 41.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.553 ' HE3' ' CE2' ' A' ' 36' ' ' PHE . 14.3 ttmt -59.52 -46.07 89.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -39.58 -60.67 0.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -50.88 -55.16 18.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.467 HD11 ' N ' ' A' ' 38' ' ' CYS . 23.5 tp -47.1 -58.9 3.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.7 mt -48.91 -42.71 37.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.13 -48.14 83.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -54.02 -38.71 65.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -55.47 -63.46 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.23 -49.24 70.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -53.49 -63.32 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.5 t30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.934 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.906 0.384 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 10.4 m-85 -112.66 151.28 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 96.0 m -115.11 127.93 55.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.415 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 5.8 t -56.86 171.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.0 t -112.43 5.96 18.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.449 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 90.9 t -126.43 -48.7 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.467 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 27.2 p -113.78 -2.41 13.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.415 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 36.9 mm-40 60.08 35.01 21.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -58.79 -175.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.1 p -127.19 127.47 44.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 8.4 m-85 -133.6 118.47 18.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -51.69 -33.9 36.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.415 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 14.8 mtp180 -124.59 169.55 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.561 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 12.3 tpt180 -75.42 -59.78 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' ARG . 2.9 tpt -37.3 -49.12 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -48.37 -48.69 36.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 76' ' ' PHE . 25.6 tp -56.43 -38.49 71.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -62.41 -44.67 95.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.06 -13.84 62.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -90.73 -41.99 10.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.11 -32.39 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.42 HG11 ' CE ' ' A' ' 105' ' ' MET . 10.4 m -48.24 -35.35 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.091 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.7 m -65.79 -29.5 70.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.449 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 64.6 m-70 -83.92 -55.16 4.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.412 HG23 ' N ' ' A' ' 91' ' ' GLY . 7.8 t -65.77 -43.66 88.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.412 ' N ' HG23 ' A' ' 90' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.919 0.39 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -150.41 149.04 29.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -81.79 -174.44 5.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.9 p -122.97 -46.01 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.454 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.8 t -70.25 -48.24 57.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.868 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.511 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 19.8 p -102.62 -17.55 15.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.848 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.4 m 66.42 35.35 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.511 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.4 mm-40 -64.97 -174.75 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -140.79 140.46 34.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.537 ' CE1' HD13 ' A' ' 110' ' ' LEU . 6.2 m-85 -144.93 157.29 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.42 ' CE ' HG11 ' A' ' 87' ' ' VAL . 11.0 mmt -94.27 -26.58 16.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -116.74 154.35 30.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -67.29 -51.01 57.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 9.2 ptpp? -55.51 -39.91 71.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 6.9 t0 -55.44 -36.65 66.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.537 HD13 ' CE1' ' A' ' 104' ' ' PHE . 19.2 tp -80.71 -49.34 11.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -49.75 -52.02 34.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.7 t -62.75 -41.67 99.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.593 ' CE1' HD11 ' A' ' 117' ' ' LEU . 5.7 t60 -57.67 -37.72 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.464 ' O ' ' C ' ' A' ' 118' ' ' HIS . 38.6 mtp -80.6 -26.04 38.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.5 mt -80.19 -29.22 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.63 -59.09 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.593 HD11 ' CE1' ' A' ' 113' ' ' HIS . 4.7 mt -76.69 -54.63 6.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.464 ' C ' ' O ' ' A' ' 114' ' ' MET . 92.4 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.9 m -93.46 169.02 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 0.0 111.095 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -139.81 131.93 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.2 t -78.7 114.85 47.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.649 0.738 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 5.05 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.739 2.292 . . . . 0.0 112.351 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 m -100.43 -54.42 2.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.3 p -121.81 17.1 11.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 52.97 25.83 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 32.1 tttt -85.25 106.86 16.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -79.68 160.6 26.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.44 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 63.5 m-85 -139.91 -178.2 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.583 HD23 ' CD2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -85.43 -39.85 17.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -135.77 174.26 10.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.43 -48.78 38.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -39.49 -43.58 1.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.583 ' CD2' HD23 ' A' ' 18' ' ' LEU . 8.3 m-85 -69.22 -39.61 78.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' LYS . 27.3 tp -62.51 -54.17 43.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 18.3 ptmt -56.33 -43.63 79.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.436 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 80.1 t -66.7 -39.79 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -67.15 -49.73 63.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.888 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.79 0.328 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 44' ' ' CYS . 35.7 tt0 -160.93 134.89 6.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.9 t -54.07 113.12 4.57 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.617 0.723 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -3.08 11.27 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.52 -41.55 10.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.937 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.7 p -119.66 -47.7 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.04 26.37 2.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -83.05 105.87 14.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.471 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 6.1 p -69.07 151.7 46.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -154.4 129.81 9.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -53.24 -54.15 40.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.25 145.86 27.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -67.07 -42.36 84.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -42.93 -66.1 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -46.93 -48.48 21.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.4 tp -55.79 -50.01 71.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.2 mt -51.44 -45.94 62.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 54' ' ' HIS . 43.0 mt-10 -58.2 -65.44 0.65 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 55' ' ' GLU . 2.5 t60 -35.45 -57.48 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' HIS . 5.1 mm-40 -34.37 -44.22 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.15 -41.3 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -54.22 -61.07 2.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.2 t30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.406 ' CB ' ' O ' ' A' ' 76' ' ' PHE . 6.8 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.874 0.368 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 12.1 m-85 -110.5 155.41 22.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 85.0 m -121.42 127.14 50.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.134 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.4 t -58.61 170.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.2 t -112.91 2.99 16.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.431 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 62.0 t -121.49 -48.45 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.4 p -113.22 -4.26 13.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 60.5 36.94 19.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.561 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 3.2 tp10 -59.25 -178.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.1 p -128.22 123.38 34.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.185 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 11.5 m-85 -125.97 161.44 27.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.441 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -95.9 -31.97 12.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.441 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 38.6 mtt-85 -123.49 158.68 30.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 6.6 ttp-105 -65.74 -62.26 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.1 tpt -38.86 -47.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -46.63 -50.62 17.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.553 HD12 ' CE1' ' A' ' 76' ' ' PHE . 29.1 tp -55.77 -37.88 69.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -62.4 -43.15 99.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.1 mt -72.25 -13.34 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -90.92 -43.38 10.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -53.19 -34.75 58.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.403 HG11 ' CE ' ' A' ' 105' ' ' MET . 4.2 m -50.33 -32.52 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.9 p -70.12 -28.12 65.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.431 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 29.5 m-70 -79.68 -47.17 15.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.4 t -76.58 -35.8 57.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.499 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 88.9 m-85 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.92 0.391 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -153.99 149.0 26.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.08 -175.47 5.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.9 p -120.49 -47.56 2.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.49 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.6 t -67.66 -52.67 35.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 30.6 p -94.96 -26.05 16.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t 74.97 26.45 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -62.34 -175.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.539 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 35.2 mt-30 -137.11 152.23 49.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.539 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 8.0 m-85 -151.4 155.71 39.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.403 ' CE ' HG11 ' A' ' 87' ' ' VAL . 6.2 mmt -92.87 -26.14 17.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -114.86 165.46 12.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 20.3 ttmt -81.9 -47.52 12.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -32.4 70.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -62.04 -37.69 85.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.2 tp -75.76 -52.23 10.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -48.69 -50.5 33.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.444 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 2.2 t -65.01 -35.7 82.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.834 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.578 ' CE1' HD12 ' A' ' 117' ' ' LEU . 3.0 t60 -62.8 -39.2 93.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 118' ' ' HIS . 44.7 mtp -77.2 -28.79 53.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 16.9 mt -78.96 -23.36 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.444 ' CD ' ' O ' ' A' ' 112' ' ' SER . 2.4 mptp? -95.97 -56.74 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.578 HD12 ' CE1' ' A' ' 113' ' ' HIS . 6.3 mt -75.66 -45.15 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.49 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 96.3 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 m -99.21 168.6 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -137.25 145.75 43.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.427 ' C ' ' H ' ' A' ' 12' ' ' THR . 37.4 t -94.28 116.43 66.41 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.63 0.729 . . . . 0.0 110.84 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 8.67 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.334 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.427 ' H ' ' C ' ' A' ' 10' ' ' CYS . 3.8 m -104.42 -55.56 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.9 p -118.93 15.35 13.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 50.25 34.79 9.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -95.59 112.15 23.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -82.91 155.72 23.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -133.63 172.37 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.563 HD21 ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -80.56 -39.42 27.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.4 p -135.73 159.8 40.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 21' ' ' TYR . 3.0 mppt? -57.25 -57.19 13.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.468 ' C ' ' O ' ' A' ' 20' ' ' LYS . 32.2 t80 -32.44 -62.53 0.23 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.563 ' CD2' HD21 ' A' ' 18' ' ' LEU . 7.3 m-85 -47.68 -53.02 16.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.9 tp -48.4 -50.44 30.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.53 -65.7 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.2 t -45.5 -29.92 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -77.01 -55.19 5.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.416 ' C ' ' ND2' ' A' ' 27' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.818 0.342 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.416 ' OE2' ' O ' ' A' ' 42' ' ' GLY . 61.1 tt0 -154.77 127.32 7.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.464 ' N ' HD11 ' A' ' 51' ' ' LEU . 3.8 t -42.21 110.32 0.81 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.636 0.731 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 0.35 5.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.28 . . . . 0.0 112.326 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -98.15 -46.12 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.4 p -112.17 -45.07 3.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.416 ' O ' ' OE2' ' A' ' 37' ' ' GLU . . . 111.14 42.96 1.04 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.566 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 6.0 tmtt? -100.98 109.83 21.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.731 0.301 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 75.5 m -61.05 153.91 24.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.566 ' CE2' ' HD2' ' A' ' 43' ' ' LYS . 16.8 m-85 -153.11 139.9 19.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -50.42 -58.26 6.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -116.24 164.59 14.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -71.38 -52.44 18.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -38.81 -54.39 1.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -54.93 -50.65 68.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.464 HD11 ' N ' ' A' ' 38' ' ' CYS . 24.9 tp -48.76 -51.15 30.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.8 mt -50.47 -44.32 55.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -55.55 -38.25 69.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 54' ' ' HIS . 1.5 t60 -69.15 -52.07 31.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -43.49 -42.97 5.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.74 -48.17 9.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -56.39 -63.58 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.419 ' O ' ' CE1' ' A' ' 54' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.879 0.371 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -111.61 161.09 16.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.3 m -126.28 129.51 49.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.136 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.472 ' SG ' ' CE ' ' A' ' 86' ' ' MET . 7.4 t -61.73 169.64 2.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.7 t -111.46 -1.05 16.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.442 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 95.0 t -115.43 -50.21 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.5 p -111.85 -6.34 14.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 63.73 32.82 13.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.586 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.4 tp10 -56.35 -179.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.6 p -126.34 127.0 44.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.598 ' CE1' HD12 ' A' ' 82' ' ' LEU . 6.4 m-85 -128.47 178.94 5.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.26 -31.42 4.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -122.76 150.86 42.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -57.97 -56.54 20.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.6 tpt -46.04 -53.31 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -40.92 -53.21 2.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.598 HD12 ' CE1' ' A' ' 76' ' ' PHE . 24.7 tp -55.88 -39.7 71.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -62.01 -40.12 94.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.2 mt -73.41 -14.69 61.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.406 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 21.8 t60 -91.64 -42.9 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.472 ' CE ' ' SG ' ' A' ' 69' ' ' CYS . 0.1 OUTLIER -50.23 -36.79 32.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.409 HG21 ' N ' ' A' ' 88' ' ' SER . 3.3 m -49.04 -35.53 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.177 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.409 ' N ' HG21 ' A' ' 87' ' ' VAL . 23.2 t -62.26 -31.13 71.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.442 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 57.9 m-70 -77.58 -32.58 53.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.6 t -107.28 24.15 13.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.966 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 77.7 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.966 0.412 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -152.87 145.67 24.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -79.44 -175.84 4.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.2 t -123.19 -44.31 2.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.514 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.4 t -70.44 -47.26 61.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.505 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 20.7 p -103.67 -18.07 14.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.0 m 66.81 36.91 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.505 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.8 mm-40 -68.43 -174.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -142.11 140.62 32.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 5.3 m-85 -142.72 161.63 37.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.9 mmt -95.94 -27.76 15.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -117.06 154.66 30.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 80.9 tttt -67.95 -51.27 49.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.8 -38.78 67.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -55.77 -38.44 69.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.4 HD13 ' CE1' ' A' ' 104' ' ' PHE . 23.3 tp -75.68 -52.27 10.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -48.2 -50.16 30.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -63.31 -40.41 97.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.599 ' CE1' HD11 ' A' ' 117' ' ' LEU . 4.7 t60 -59.72 -40.14 87.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.457 ' O ' ' C ' ' A' ' 118' ' ' HIS . 40.0 mtp -77.66 -28.93 51.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 21.0 mt -77.89 -28.14 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -88.08 -58.1 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.599 HD11 ' CE1' ' A' ' 113' ' ' HIS . 5.6 mt -78.05 -54.66 6.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.514 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 95.1 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 m -49.89 133.31 22.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -129.7 163.6 25.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.823 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.91 -145.89 6.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -158.94 171.92 19.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 t -40.76 127.73 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.84 179.4 39.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.478 ' CG2' HD22 ' A' ' 23' ' ' LEU . 35.8 m -73.71 -175.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.154 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -153.5 140.37 19.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.434 ' C ' ' H ' ' A' ' 12' ' ' THR . 8.2 t -81.44 117.1 66.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.636 0.731 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 9.87 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.434 ' H ' ' C ' ' A' ' 10' ' ' CYS . 79.9 m -114.09 -59.46 2.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.5 p -100.62 -12.98 18.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.4 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 72.6 m-70 69.47 44.07 0.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -107.97 110.1 21.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -74.09 152.2 39.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -133.35 178.77 6.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.477 HD22 ' CE2' ' A' ' 22' ' ' TYR . 1.9 pp -80.59 -36.4 32.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.1 t -144.32 144.57 31.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' TYR . 7.6 tppt? -48.17 -46.15 34.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' LYS . 15.9 t80 -36.6 -59.82 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.477 ' CE2' HD22 ' A' ' 18' ' ' LEU . 25.3 m-85 -59.0 -46.1 89.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.948 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.478 HD22 ' CG2' ' A' ' 8' ' ' VAL . 38.7 tp -52.39 -50.52 62.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -55.83 -64.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.466 ' O ' ' CG ' ' A' ' 28' ' ' ARG . 58.1 t -49.17 -31.54 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -69.93 -43.81 70.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.44 ' C ' ' ND2' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -62.95 -23.97 67.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.466 ' CG ' ' O ' ' A' ' 25' ' ' VAL . 7.7 mmt85 -36.45 -42.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 30' ' ' HIS . 62.0 mmtt -65.21 -61.78 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 29' ' ' LYS . 20.4 m-70 -33.74 -60.04 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.8 t -64.86 143.3 58.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.103 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.39 101.46 2.65 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.458 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -44.92 144.85 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.951 0.405 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.428 ' HG3' ' CB ' ' A' ' 44' ' ' CYS . 33.1 mmtm -135.82 148.92 67.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.587 0.708 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -51.27 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.388 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -136.2 166.79 22.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 34.4 tt0 -164.48 130.61 2.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.427 ' N ' HD12 ' A' ' 51' ' ' LEU . 6.9 t -44.92 112.05 1.41 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.674 0.75 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -2.37 10.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -95.78 -45.84 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.428 ' CB ' ' HB2' ' A' ' 60' ' ' MET . 30.3 p -111.91 -46.01 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.14 37.32 1.25 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.435 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 2.9 tmtt? -95.7 111.78 23.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.428 ' CB ' ' HG3' ' A' ' 34' ' ' LYS . 29.7 p -66.17 133.66 51.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.462 ' CD2' ' HA ' ' A' ' 51' ' ' LEU . 5.2 m-85 -134.9 100.87 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' TYR . 9.5 t80 -37.09 -53.45 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -93.03 133.32 36.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -58.55 -51.93 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -42.63 -50.99 5.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -56.34 -45.54 80.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.462 ' HA ' ' CD2' ' A' ' 45' ' ' TYR . 17.5 tp -54.69 -54.32 43.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.982 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.2 mt -51.65 -56.1 15.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 54' ' ' HIS . 60.5 mt-10 -48.04 -66.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.48 ' CD2' ' N ' ' A' ' 55' ' ' GLU . 3.6 t60 -34.86 -61.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.48 ' N ' ' CD2' ' A' ' 54' ' ' HIS . 2.8 mm-40 -34.51 -44.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.04 -47.38 10.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -53.7 -60.94 2.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.422 ' O ' ' CE1' ' A' ' 54' ' ' HIS . 9.0 m120 -161.93 148.63 13.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 60' ' ' MET . 3.9 t -145.13 174.07 11.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 59' ' ' CYS . 39.6 ttp -34.23 129.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 62' ' ' ARG . 0.9 OUTLIER -172.16 116.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 61' ' ' ASN . 17.6 ttp180 -34.53 103.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.38 158.01 20.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -53.94 144.78 17.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -53.57 107.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.6 m -116.44 173.03 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 50.3 m-85 -120.73 150.51 40.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.9 m -117.74 130.93 56.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.401 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 3.7 t -57.77 177.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.8 t -119.04 0.64 11.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.557 HG11 ' CE1' ' A' ' 89' ' ' HIS . 60.9 t -121.29 -47.24 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.432 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.4 p -113.38 -3.15 13.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 59.42 38.69 22.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.582 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.4 tp10 -62.5 -173.55 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.2 p -131.35 128.21 39.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.582 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 12.8 m-85 -137.64 116.5 12.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.42 ' CD ' ' HG3' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -63.85 -13.04 41.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.42 ' HG3' ' CD ' ' A' ' 77' ' ' ARG . 51.1 mtp85 -123.66 160.73 26.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 8.6 tpt180 -81.16 -51.31 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.7 tpt -51.43 -47.18 63.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -44.75 -55.36 5.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.2 tp -50.39 -44.28 54.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -58.68 -42.91 89.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.3 mt -74.63 -13.56 60.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -90.81 -41.96 10.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.403 ' HA ' ' CE ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -50.83 -35.91 34.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 m -50.63 -36.48 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.0 m -60.44 -30.59 69.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.557 ' CE1' HG11 ' A' ' 71' ' ' VAL . 70.1 m-70 -78.57 -36.9 43.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.4 t -106.91 28.53 7.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.81 -68.67 2.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -151.1 169.49 21.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.916 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.47 ' CG ' ' HB3' ' A' ' 103' ' ' GLN . 3.2 mtt -50.32 154.03 2.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -31.62 20.37 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -118.21 148.58 42.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -147.28 155.89 42.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.414 ' SG ' ' SD ' ' A' ' 114' ' ' MET . 1.2 t -86.72 -176.12 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.4 m -124.49 -43.27 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -70.06 -48.5 57.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.5 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 22.3 p -104.2 -21.92 13.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t 74.92 30.69 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.5 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.8 mm100 -63.8 -174.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.482 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 35.6 mt-30 -138.57 143.69 39.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 6.5 m-85 -146.75 163.03 37.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.0 mmt -98.89 -25.97 14.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -116.87 153.31 32.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.501 ' HZ3' ' NE2' ' A' ' 111' ' ' GLN . 52.6 tttm -68.57 -49.71 57.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -57.06 -38.81 73.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.84 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -56.98 -36.34 70.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.5 tp -76.73 -53.29 8.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.501 ' NE2' ' HZ3' ' A' ' 107' ' ' LYS . 31.7 mt-30 -48.97 -50.75 34.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.8 t -61.65 -40.68 95.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.488 ' CE1' HD12 ' A' ' 117' ' ' LEU . 5.5 t60 -59.97 -35.1 74.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.414 ' SD ' ' SG ' ' A' ' 97' ' ' CYS . 31.3 mtp -85.1 -15.68 43.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.433 ' C ' ' HD2' ' A' ' 116' ' ' LYS . 27.9 mt -93.31 -12.85 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.491 ' O ' ' CA ' ' A' ' 120' ' ' GLY . 0.3 OUTLIER -114.23 -57.61 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.488 HD12 ' CE1' ' A' ' 113' ' ' HIS . 6.0 mt -67.26 -46.1 74.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -90.44 -27.65 19.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.67 43.99 2.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 116' ' ' LYS . . . -79.82 172.14 54.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -2.53 10.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.8 t -108.13 160.51 15.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 91.8 p -103.83 42.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.485 -179.932 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.8 p -79.27 111.85 15.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.821 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 p -136.21 120.57 18.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.45 -144.81 12.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -98.6 150.92 21.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 0.0 110.903 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -154.41 177.87 10.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.98 177.47 34.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.7 m -81.18 172.66 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 0.0 111.155 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -145.53 136.8 24.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' HIS . 43.4 t -85.32 114.72 57.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.586 0.708 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 4.48 2.17 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -101.17 -51.75 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.6 p -118.75 6.49 11.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 10' ' ' CYS . 67.6 m-70 60.14 25.33 14.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.565 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 58.9 tttt -86.42 113.16 22.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -90.1 158.26 17.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.565 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 30.3 m-85 -137.79 -177.87 5.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.7 mt -67.99 -50.67 54.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.3 t -137.7 -176.51 4.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -69.4 -37.81 77.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -51.44 -56.31 13.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -53.77 -40.81 66.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.9 tp -57.76 -59.57 5.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -41.99 -61.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.418 ' HA ' ' NE ' ' A' ' 28' ' ' ARG . 84.3 t -49.25 -35.55 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 27' ' ' ASN . 4.0 t60 -72.48 -59.3 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' ARG . 2.1 t30 -35.2 -44.96 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' ASN . 94.9 mtt180 -33.69 -45.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -45.1 -56.74 4.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -58.8 -37.42 76.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.5 t -158.23 126.9 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.77 68.98 3.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 34' ' ' LYS . 12.9 mt-10 -86.93 159.29 19.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.931 0.396 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 33' ' ' GLU . 0.9 OUTLIER -33.21 98.82 0.14 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 36' ' ' PHE . 53.9 Cg_endo -69.74 6.09 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.712 2.274 . . . . 0.0 112.377 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.58 ' CD1' ' HG2' ' A' ' 35' ' ' PRO . 66.1 m-85 -130.63 169.98 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -172.45 130.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.459 ' CA ' HD12 ' A' ' 51' ' ' LEU . 5.7 t -52.24 112.73 3.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 1.56 4.31 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.698 2.266 . . . . 0.0 112.324 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -100.07 -43.52 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.0 p -115.8 -37.49 3.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 108.53 27.43 4.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.5 109.28 17.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 75.9 m -64.13 135.06 56.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.412 ' CB ' ' HB2' ' A' ' 51' ' ' LEU . 2.9 m-85 -134.94 146.64 49.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -64.98 -56.98 9.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -110.85 146.77 35.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 62.2 tttt -64.43 -39.16 93.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -47.57 -66.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -52.29 -48.27 65.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.459 HD12 ' CA ' ' A' ' 38' ' ' CYS . 34.0 tp -52.03 -46.62 65.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.5 mt -57.06 -39.89 75.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -61.12 -41.09 96.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.413 ' CE1' ' HA ' ' A' ' 59' ' ' CYS . 1.4 t60 -63.96 -36.97 85.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -56.9 -51.5 68.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.62 -49.09 17.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -53.72 -68.39 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -158.45 133.35 8.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.413 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 3.9 t -116.18 140.9 48.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 45.0 mtm -48.94 149.06 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -48.1 141.2 6.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -55.82 149.47 14.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 t -149.82 139.32 21.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -64.74 -177.18 0.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -66.84 106.61 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.7 m -109.01 168.49 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 20.8 m-85 -119.74 155.16 33.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.3 m -116.2 125.13 51.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.413 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.6 t -50.88 172.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.8 p -113.41 10.1 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.432 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 48.4 t -133.36 -45.56 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.452 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.2 p -116.15 -0.7 12.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.402 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 38.7 mm-40 58.96 33.92 23.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 1.3 tp10 -55.6 -173.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.0 p -128.76 124.97 36.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.172 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 74' ' ' GLU . 9.6 m-85 -133.12 119.16 19.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -53.45 -32.87 51.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.44 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 86.1 mtt180 -124.78 162.23 24.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.47 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 27.2 tpt180 -68.88 -61.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 79' ' ' ARG . 3.3 tpt -36.15 -47.01 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -50.68 -47.94 58.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.531 HD12 ' CE1' ' A' ' 76' ' ' PHE . 16.1 tp -56.49 -35.76 68.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -66.63 -43.89 83.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 mt -70.57 -13.28 62.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.405 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 22.8 t60 -93.37 -39.67 10.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.401 ' HE3' ' SG ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -52.74 -32.25 42.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.7 m -51.36 -30.78 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.8 m -68.46 -27.8 66.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.432 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 65.8 m-70 -83.6 -52.37 6.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -72.33 -40.43 67.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.96 -68.45 0.49 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -150.84 167.39 27.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.0 mtt -77.51 146.11 72.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.52 0.676 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -39.58 6.44 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.713 2.276 . . . . 0.0 112.356 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.488 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 82.7 m-85 -105.89 152.51 23.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -155.88 151.77 27.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -82.45 -174.71 5.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.8 t -123.44 -44.22 2.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 t -73.4 -51.58 16.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.513 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.5 p -96.93 -13.25 22.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.2 p 62.73 30.76 16.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.513 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.2 mm100 -64.73 -174.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.643 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 26.3 mt-30 -141.06 150.57 43.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.643 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.3 m-85 -150.35 162.13 41.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.2 mmt -95.76 -27.75 15.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -123.33 147.77 46.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.488 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 26.0 tttt -59.67 -57.34 13.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 109' ' ' ASP . 0.1 OUTLIER -47.67 -36.67 11.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.412 ' N ' ' HG2' ' A' ' 108' ' ' LYS . 5.9 t0 -61.8 -33.03 73.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.457 HD12 ' CE1' ' A' ' 104' ' ' PHE . 21.1 tp -80.11 -47.04 15.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -52.83 -50.71 63.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.3 -36.69 82.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.562 ' CE1' HD11 ' A' ' 117' ' ' LEU . 4.8 t60 -64.75 -35.12 80.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 34.2 mtp -82.25 -19.99 38.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.3 mt -87.06 -26.24 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -91.28 -58.48 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.562 HD11 ' CE1' ' A' ' 113' ' ' HIS . 4.1 mt -77.13 -52.12 9.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 119' ' ' SER . 77.0 m-70 -89.91 34.76 0.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 118' ' ' HIS . 68.5 p -34.61 -49.41 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -115.89 -166.79 14.81 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -13.78 35.17 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.633 2.222 . . . . 0.0 112.361 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.3 t -50.33 160.13 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 95.1 p -87.08 174.25 8.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.499 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -48.78 157.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.862 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 m -121.17 158.81 27.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.18 -113.0 0.55 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -169.4 174.65 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.82 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 t -103.07 -57.79 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.33 173.16 9.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -81.48 -178.18 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -153.3 150.84 29.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.44 ' C ' ' H ' ' A' ' 12' ' ' THR . 4.1 t -88.24 117.63 68.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.663 0.744 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 11.68 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.307 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.541 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 19.4 m -119.4 -58.13 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 p -101.12 -7.66 22.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 63.05 45.34 5.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.438 ' HE2' ' CE2' ' A' ' 17' ' ' PHE . 54.2 tttt -106.05 113.33 26.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -80.57 141.92 34.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.906 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.438 ' CE2' ' HE2' ' A' ' 15' ' ' LYS . 46.7 m-85 -125.94 178.84 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.436 ' N ' HD13 ' A' ' 18' ' ' LEU . 8.3 mp -76.61 -55.57 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.7 p -126.48 145.5 50.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' LEU . 11.1 ttpt -44.44 -47.06 9.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -38.84 -54.69 1.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -58.68 -37.07 75.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 20' ' ' LYS . 22.6 tp -69.58 -63.46 1.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -43.86 -38.38 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.6 t -70.98 -40.46 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.149 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.469 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 2.2 t60 -71.94 -58.08 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.469 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 11.4 t30 -35.6 -41.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' ASN . 42.9 mtm180 -32.85 -43.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -49.25 -52.75 25.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.541 ' CD2' ' HB ' ' A' ' 12' ' ' THR . 87.8 m-70 -60.71 -61.99 2.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.832 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.9 p -46.46 129.08 10.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.5 46.73 0.96 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -107.8 175.58 5.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' CG ' ' HB2' ' A' ' 44' ' ' CYS . 14.1 mptt -42.62 151.2 0.39 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.57 0.7 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -14.72 36.57 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.713 2.276 . . . . 0.0 112.349 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -142.07 142.51 32.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.427 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 22.0 tt0 -153.51 157.29 39.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.2 t -74.95 113.3 23.41 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.66 0.743 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 0.92 4.92 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.361 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -100.43 -45.24 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.8 p -113.73 -43.47 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.77 36.27 2.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.49 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 6.5 tmtm? -94.6 120.92 35.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.323 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.446 ' HB2' ' CG ' ' A' ' 34' ' ' LYS . 31.1 p -64.16 157.17 26.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.49 ' CE2' ' HD2' ' A' ' 43' ' ' LYS . 5.0 m-85 -167.72 107.85 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.16 -49.23 43.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.474 ' CG ' ' HB2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -88.38 140.52 29.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -84.04 -29.76 26.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.5 mp0 -55.63 -55.77 28.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.474 ' HB2' ' CG ' ' A' ' 47' ' ' ARG . 2.3 m-80 -63.55 -51.46 65.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.9 tp -47.7 -43.03 26.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.4 mt -58.84 -42.8 90.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 54' ' ' HIS . 36.4 mt-10 -62.86 -62.54 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.441 ' CD2' ' C ' ' A' ' 54' ' ' HIS . 1.5 t60 -36.26 -51.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -37.68 -44.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -93.7 -43.74 8.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -63.24 1.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -147.5 150.43 34.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.2 t -169.79 168.48 8.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.5 tpp -42.99 153.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -64.84 120.4 12.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -40.17 -62.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.8 t -61.58 150.61 35.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -157.84 105.58 2.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -72.16 106.78 4.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.4 m -93.68 173.28 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 10.0 m-85 -119.66 161.95 19.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.2 m -124.61 128.93 49.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.175 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.424 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 5.2 t -56.8 172.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.4 t -113.29 3.08 15.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.448 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 89.2 t -123.36 -48.83 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.0 p -113.36 -2.34 14.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.424 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 44.4 mm-40 60.15 34.71 21.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.573 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -57.41 -174.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.1 p -127.41 128.13 45.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 10.3 m-85 -135.22 114.98 12.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.46 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -48.88 -33.19 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.46 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 21.2 mtp85 -125.18 171.94 9.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.572 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 11.2 ttp180 -76.83 -64.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' ARG . 0.7 OUTLIER -33.35 -49.13 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -48.72 -53.14 20.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.568 HD12 ' CE1' ' A' ' 76' ' ' PHE . 14.3 tp -52.22 -38.89 59.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -62.31 -47.29 84.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.93 -14.43 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -91.1 -39.76 11.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.13 -32.44 35.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.463 HG12 ' CE ' ' A' ' 105' ' ' MET . 5.1 m -49.96 -33.94 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.9 m -67.08 -29.12 68.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.448 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 52.5 m-70 -82.02 -54.05 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.827 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.447 HG21 ' N ' ' A' ' 91' ' ' GLY . 10.2 t -68.92 -39.91 79.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.447 ' N ' HG21 ' A' ' 90' ' ' THR . . . 136.61 -58.18 0.66 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -156.18 165.89 35.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.83 0.348 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.1 mtt -68.61 152.3 96.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.546 0.689 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -45.18 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.366 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 85.6 m-85 -102.54 154.05 19.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -155.37 151.08 27.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -86.39 -177.07 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 t -124.24 -43.17 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -71.14 -45.56 63.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.507 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.2 p -105.93 -15.56 14.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m 65.0 35.74 7.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.507 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.6 mm100 -69.09 -174.29 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -143.63 139.61 29.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -140.19 172.3 12.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.463 ' CE ' HG12 ' A' ' 87' ' ' VAL . 9.1 mmt -108.46 -23.97 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -119.49 150.58 40.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 25.7 tttp -66.75 -46.83 74.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -62.33 -26.5 68.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -35.07 76.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.1 tp -79.18 -48.24 14.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -52.02 -50.55 61.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 t -62.04 -40.77 96.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.579 ' CE1' HD11 ' A' ' 117' ' ' LEU . 4.4 t60 -58.15 -40.38 81.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.458 ' O ' ' C ' ' A' ' 118' ' ' HIS . 41.5 mtp -76.28 -32.83 59.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.1 mt -76.13 -23.52 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.48 -55.09 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.579 HD11 ' CE1' ' A' ' 113' ' ' HIS . 6.5 mt -81.08 -51.36 8.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 114' ' ' MET . 68.9 m-70 -90.44 39.96 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.8 t -75.98 49.21 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 166.54 173.64 35.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -16.32 37.73 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 33.7 m -51.26 155.78 1.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.2 t -170.86 139.12 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.479 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -80.73 173.45 12.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.851 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 m -66.63 -58.99 4.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.75 166.72 23.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.0 m -83.61 174.38 10.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.379 . . . . 0.0 110.827 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -69.82 -58.21 4.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.07 -167.85 25.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.0 m -83.47 -177.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -147.73 137.29 22.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 14' ' ' HIS . 42.8 t -86.44 115.92 63.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.664 0.745 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 5.05 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -102.17 -52.12 3.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.9 p -120.52 10.06 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' CYS . 67.6 m-70 56.98 25.05 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.529 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 62.0 tttt -85.61 111.83 20.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -84.58 157.52 21.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.529 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 43.6 m-85 -137.76 -176.4 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 mp -69.94 -54.69 12.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 t -136.43 172.68 12.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.471 ' CD ' ' HG3' ' A' ' 24' ' ' LYS . 4.2 tmtp? -57.11 -50.41 72.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -38.82 -60.03 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -49.31 -43.62 43.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.0 tp -58.08 -61.25 2.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 36.3 mttm -43.04 -43.69 4.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.4 t -68.54 -33.99 62.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 4.3 t60 -76.55 -62.15 1.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.463 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -33.93 -44.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -45.14 -49.13 12.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -40.2 -43.5 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -54.62 -55.73 26.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.3 p -62.47 174.74 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.44 109.4 2.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.448 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -90.86 155.03 19.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -57.1 157.56 11.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.588 0.709 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.451 ' HB2' ' CD1' ' A' ' 36' ' ' PHE . 53.6 Cg_endo -69.75 -48.18 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 35' ' ' PRO . 70.8 m-85 -133.54 169.17 17.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 44' ' ' CYS . 36.4 tt0 -170.91 123.15 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.451 ' N ' HD13 ' A' ' 51' ' ' LEU . 2.3 t -36.37 105.74 0.3 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.731 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.1 3.83 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -99.37 -34.86 10.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.1 p -125.88 -43.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.56 21.56 3.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.552 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 3.1 tmtm? -80.96 106.23 12.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.747 0.308 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 11.5 p -63.24 165.53 7.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.552 ' CE2' ' HD2' ' A' ' 43' ' ' LYS . 6.0 m-85 -165.1 114.62 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -39.72 -48.36 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -112.44 157.64 20.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 49' ' ' GLU . 64.6 tttt -70.97 -54.23 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 48' ' ' LYS . 19.4 tt0 -34.54 -56.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -54.99 -51.47 66.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.474 ' HA ' ' CD2' ' A' ' 45' ' ' TYR . 6.6 tp -49.11 -52.22 27.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.9 mt -57.09 -41.4 78.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.58 -44.65 95.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.441 ' CE1' ' HA ' ' A' ' 59' ' ' CYS . 3.6 t60 -57.87 -37.49 74.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -60.17 -63.55 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.41 -51.14 67.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -54.16 -70.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 54' ' ' HIS . 29.9 t-20 -160.37 124.91 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.441 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 3.0 t -95.43 146.49 24.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 27.2 ttp -45.12 131.65 7.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -111.42 150.52 29.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -78.63 -47.89 16.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -83.43 55.08 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -136.38 117.09 13.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -45.56 104.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.5 m -74.63 172.32 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 19.0 m-85 -125.51 158.55 34.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 88.0 m -118.33 127.07 53.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.437 ' HA ' ' CD1' ' A' ' 82' ' ' LEU . 5.3 t -53.34 172.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.8 m -113.13 10.59 18.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.9 t -134.13 -44.56 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.2 p -117.14 -0.49 12.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.403 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 37.0 mm-40 57.91 34.97 24.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 2.5 tp10 -56.15 -173.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.9 p -128.55 122.86 32.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.543 ' CE1' HD11 ' A' ' 82' ' ' LEU . 11.6 m-85 -129.99 118.87 22.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.543 ' H ' ' NE ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -55.81 -27.99 53.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -127.24 160.87 29.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 13.1 ttp180 -68.23 -61.89 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 79' ' ' ARG . 4.4 tpt -37.53 -47.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -46.8 -51.6 16.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.543 HD11 ' CE1' ' A' ' 76' ' ' PHE . 18.6 tp -54.83 -34.99 63.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -66.93 -41.72 86.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.816 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 mt -73.01 -19.0 61.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -87.21 -38.14 16.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.17 -22.93 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.453 ' CG1' ' HG2' ' A' ' 93' ' ' MET . 2.5 m -57.49 -29.72 34.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.1 p -70.95 -13.51 62.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -104.96 -23.56 12.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.0 p -95.12 -31.19 13.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.433 ' O ' ' HG3' ' A' ' 92' ' ' GLU . . . 113.35 -41.65 2.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.506 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 91' ' ' GLY . 1.3 mt-10 -165.2 149.67 8.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.495 ' CE ' ' HG2' ' A' ' 105' ' ' MET . 34.3 mtp -69.6 153.63 95.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.597 0.713 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -38.95 7.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.262 . . . . 0.0 112.342 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -108.67 151.67 25.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.453 ' NZ ' ' O ' ' A' ' 93' ' ' MET . 4.3 mtmm -152.41 143.2 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -79.55 -174.55 4.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.3 m -126.11 -43.6 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -71.13 -42.65 68.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.529 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 31.2 p -111.61 -2.08 15.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.5 p 54.55 27.95 9.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.529 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 3.7 mm100 -60.75 -173.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.613 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 19.7 mt-30 -145.16 148.22 33.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.613 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.4 m-85 -148.03 165.65 30.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.495 ' HG2' ' CE ' ' A' ' 93' ' ' MET . 5.8 mmt -97.62 -28.39 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -122.41 159.3 27.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -57.95 5.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -48.43 -39.37 22.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -58.77 -29.98 67.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.48 HD12 ' CE1' ' A' ' 104' ' ' PHE . 16.7 tp -88.56 -44.07 10.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -54.5 -51.37 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -61.74 -38.8 89.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.557 ' CE1' HD13 ' A' ' 117' ' ' LEU . 4.8 t60 -60.72 -41.13 94.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 34.3 mtp -74.92 -23.41 58.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.6 mt -85.57 -23.1 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -96.21 -56.39 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.557 HD13 ' CE1' ' A' ' 113' ' ' HIS . 4.3 mt -76.79 -51.82 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -90.69 34.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.6 t -61.78 -71.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.84 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 158.53 -142.58 8.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 102.76 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.25 . . . . 0.0 112.348 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.5 t -132.45 -177.66 4.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.814 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.1 m -141.94 177.39 8.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.52 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 p -169.22 128.41 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.2 p -89.5 173.16 8.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.49 -139.04 2.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -110.12 157.31 19.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.373 . . . . 0.0 110.883 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.3 p -132.88 128.56 36.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.11 173.11 32.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.8 m -73.08 174.35 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -144.17 142.52 30.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.2 t -91.25 115.69 64.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.67 0.748 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 6.36 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.508 HG23 ' CE1' ' A' ' 30' ' ' HIS . 6.2 m -102.24 -57.73 2.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.159 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.2 p -116.37 18.08 15.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 48.38 33.79 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.7 tttt -94.76 114.66 26.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -82.85 159.26 22.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -138.23 174.2 10.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.8 mt -73.86 -43.78 57.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.0 m -141.9 177.61 8.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 20' ' ' LYS . 2.0 mppt? -66.53 -40.4 89.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -45.44 -64.55 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -51.27 -36.19 40.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.7 tp -67.57 -66.21 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 44.4 pttt -42.98 -36.87 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.489 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 72.1 t -74.73 -37.3 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -70.17 -51.2 33.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -43.93 -44.67 7.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -38.56 -53.34 1.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -41.61 -49.17 4.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.508 ' CE1' HG23 ' A' ' 12' ' ' THR . 33.8 m-70 -52.54 -56.09 17.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.8 t -80.43 129.3 34.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 155.12 -105.25 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -144.63 152.08 39.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.882 0.372 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.444 ' CB ' ' HB2' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -151.9 140.8 13.82 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.6 0.714 . . . . 0.0 110.85 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.421 ' HB2' ' CD2' ' A' ' 36' ' ' PHE . 53.9 Cg_endo -69.78 -38.89 7.13 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.637 2.225 . . . . 0.0 112.379 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.421 ' CD2' ' HB2' ' A' ' 35' ' ' PRO . 36.2 m-85 -143.15 179.43 7.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.833 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 29.8 tt0 -164.57 153.57 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.444 ' N ' HD11 ' A' ' 51' ' ' LEU . 8.4 t -71.08 113.11 16.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.631 0.729 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 0.68 5.28 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.625 2.216 . . . . 0.0 112.361 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -99.81 -42.56 6.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.0 p -116.58 -45.61 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.48 35.89 1.68 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.422 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 4.4 tmtt? -94.26 119.32 32.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.733 0.302 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.444 ' HB2' ' CB ' ' A' ' 34' ' ' LYS . 30.0 p -68.06 152.4 45.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -147.48 145.42 29.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -72.68 -41.21 65.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -112.37 148.99 33.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -70.65 -48.89 52.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -48.72 -53.53 18.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -51.26 -47.44 62.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.444 HD11 ' N ' ' A' ' 38' ' ' CYS . 31.4 tp -56.01 -54.37 45.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.9 mt -49.08 -41.42 35.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.42 -62.09 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.416 ' CE1' ' O ' ' A' ' 58' ' ' ASN . 3.1 t60 -40.18 -46.32 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -44.69 -40.91 6.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.31 -44.17 8.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -53.26 -54.45 35.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.416 ' O ' ' CE1' ' A' ' 54' ' ' HIS . 8.8 t-20 -169.36 144.88 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.0 t -148.03 174.9 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.9 ttm -46.46 117.46 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -166.08 171.47 12.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.83 98.07 6.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.8 p -65.18 122.64 17.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -112.98 39.27 2.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -98.89 118.23 35.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.9 m -117.11 166.26 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 8.4 m-85 -112.98 149.8 32.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.4 m -114.83 130.4 56.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.144 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.436 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 4.5 t -60.14 174.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.7 t -116.33 -0.3 12.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.582 HG13 ' CE1' ' A' ' 89' ' ' HIS . 56.1 t -119.85 -48.97 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 27.1 p -113.46 -2.36 13.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.436 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 30.7 mm-40 59.9 36.18 21.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.596 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 1.5 tp10 -61.28 179.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.9 p -123.14 129.4 51.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.596 ' CZ ' ' HB3' ' A' ' 74' ' ' GLU . 8.7 m-85 -134.38 117.47 16.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.836 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.412 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -52.66 -32.5 42.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.412 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 88.7 mtt180 -124.63 170.27 11.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.555 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 13.1 tpp180 -77.43 -59.67 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' ARG . 5.8 tpt -36.14 -53.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -45.28 -48.31 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.541 HD13 ' CE1' ' A' ' 76' ' ' PHE . 32.7 tp -56.58 -43.35 79.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -58.01 -42.14 84.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.8 mt -75.06 -12.75 60.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.414 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 36.8 t60 -90.41 -44.58 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -49.75 -34.07 18.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.448 ' CG1' ' HE3' ' A' ' 93' ' ' MET . 3.8 m -50.8 -32.34 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -67.28 -28.02 67.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.582 ' CE1' HG13 ' A' ' 71' ' ' VAL . 58.7 m-70 -82.54 -51.04 8.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 t -71.78 -45.32 61.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.55 -47.01 0.99 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 93' ' ' MET . 3.8 tt0 -162.31 160.59 26.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.452 ' N ' ' CG ' ' A' ' 92' ' ' GLU . 5.0 mtt -73.28 148.08 88.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.59 0.71 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -43.75 2.44 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 86.3 m-85 -101.08 146.69 27.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -151.34 142.17 22.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -74.36 -175.36 2.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.7 m -122.86 -45.66 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.541 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.4 t -71.18 -48.26 52.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.505 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.0 p -102.45 -14.65 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 55.9 m 63.14 34.51 13.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.505 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.4 mm-40 -65.37 -175.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.506 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 31.0 mt-30 -140.7 146.69 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 11.0 m-85 -148.32 165.2 31.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.422 ' HE3' ' CE ' ' A' ' 93' ' ' MET . 8.1 mmt -96.84 -29.16 13.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -117.85 160.31 21.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 37.3 tttm -73.18 -50.18 23.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -56.0 -33.51 64.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.459 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 4.5 t0 -61.26 -36.52 80.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 20.0 tp -77.13 -50.88 12.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -47.67 -51.04 23.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -62.72 -43.66 98.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.541 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.3 t60 -54.84 -39.44 68.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.48 ' O ' ' C ' ' A' ' 118' ' ' HIS . 40.9 mtp -78.02 -30.64 50.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.6 mt -75.0 -28.51 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.476 ' HE2' ' N ' ' A' ' 116' ' ' LYS . 0.3 OUTLIER -89.29 -57.01 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.827 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.541 HD12 ' CE1' ' A' ' 113' ' ' HIS . 4.9 mt -78.32 -54.23 6.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.541 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 97.8 m-70 -87.42 35.42 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.79 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 94.9 p -61.46 86.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -81.41 136.49 16.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 106.33 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.656 2.238 . . . . 0.0 112.351 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.7 m -88.68 91.38 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.2 p -152.65 114.46 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.48 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -113.84 158.59 20.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.381 . . . . 0.0 110.819 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -126.3 158.72 35.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.96 66.79 0.23 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.427 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.5 t -112.83 -61.8 1.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -99.82 151.03 21.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.77 166.08 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.501 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.456 ' CG1' ' HG2' ' A' ' 20' ' ' LYS . 31.6 m -72.19 176.04 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.799 0.333 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -144.1 146.79 33.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.402 ' C ' ' H ' ' A' ' 12' ' ' THR . 41.7 t -98.01 114.24 64.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 110.842 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 6.36 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.402 ' H ' ' C ' ' A' ' 10' ' ' CYS . 3.0 m -101.31 -55.3 2.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.9 p -119.23 15.51 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 52.56 30.37 8.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.441 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 45.7 tttt -92.03 117.03 29.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -87.75 157.19 19.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.441 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 68.5 m-85 -139.37 178.18 7.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -64.49 -55.84 18.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.8 m -141.45 165.71 26.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 21' ' ' TYR . 22.3 mmtm -45.94 -56.77 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.462 ' C ' ' O ' ' A' ' 20' ' ' LYS . 4.3 t80 -32.38 -65.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -50.18 -48.69 53.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 tp -55.23 -58.26 8.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.417 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 50.9 mttm -43.15 -59.57 2.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.7 t -53.71 -35.16 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.154 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.533 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 4.1 t60 -71.1 -65.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.533 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -36.0 -45.67 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 27' ' ' ASN . 56.3 mtp85 -33.87 -45.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -45.63 -56.51 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -49.63 -48.7 48.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.3 t -141.69 133.47 27.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.96 38.9 1.62 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -101.93 145.25 29.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -169.43 124.45 0.71 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -50.75 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.328 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -136.0 142.92 44.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -135.07 125.4 26.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 t -41.38 112.62 0.99 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -1.62 8.82 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -95.41 -47.29 6.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.8 p -110.91 -43.49 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.49 35.85 1.84 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -97.1 121.72 39.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.7 p -74.85 145.5 42.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -145.89 116.92 7.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -50.58 -49.9 55.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.33 146.73 24.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -71.13 -47.57 57.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -43.87 -60.14 1.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -47.89 -55.11 10.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.1 tp -47.07 -51.88 16.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.52 -51.97 67.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 57' ' ' ARG . 44.0 mt-10 -53.15 -38.46 62.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.41 ' CE1' ' HA ' ' A' ' 59' ' ' CYS . 1.8 t60 -65.72 -42.43 91.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -54.29 -55.59 26.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.34 -50.11 29.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 53' ' ' GLU . 4.1 tmt_? -54.04 -64.59 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -164.88 132.04 3.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 60' ' ' MET . 8.1 t -111.12 129.52 55.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' CYS . 33.1 ttp -36.59 147.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -140.46 175.91 9.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -79.62 168.02 19.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.5 t -68.04 154.6 41.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 65' ' ' GLN . 3.0 mp0 -128.85 177.05 7.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 64' ' ' GLU . 12.7 tt0 -35.16 112.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.5 m -82.38 170.76 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 5.3 m-85 -116.38 175.38 5.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 93.4 m -141.47 124.04 15.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.45 ' SG ' ' CE ' ' A' ' 86' ' ' MET . 25.2 t -58.6 158.17 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.5 t -102.89 15.34 29.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.44 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 53.1 t -128.7 -45.88 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.1 p -117.66 -12.7 10.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 72' ' ' CYS . 43.4 mm-40 71.74 31.37 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.582 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -56.95 -174.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.6 p -128.38 128.27 44.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.582 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 8.7 m-85 -134.86 118.81 17.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.59 ' H ' ' NE ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -54.8 -31.46 59.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -125.88 169.93 12.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 4.8 ttp-105 -75.89 -60.47 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 79' ' ' ARG . 5.5 tpt -36.77 -52.73 0.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -45.56 -50.22 13.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.556 HD11 ' CE1' ' A' ' 76' ' ' PHE . 32.4 tp -55.79 -39.12 70.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -61.32 -43.7 98.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mt -71.5 -14.05 62.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.403 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 21.1 t60 -89.53 -44.72 9.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.45 ' CE ' ' SG ' ' A' ' 69' ' ' CYS . 0.2 OUTLIER -47.71 -33.95 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.446 HG11 ' CE ' ' A' ' 105' ' ' MET . 4.6 m -49.59 -32.28 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.8 t -67.13 -28.85 68.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.44 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 55.9 m-70 -84.08 -52.74 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.6 t -69.69 -40.59 76.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.93 -65.62 0.52 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -155.36 168.34 27.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.406 ' CE ' ' HG2' ' A' ' 105' ' ' MET . 8.8 mtp -80.29 150.91 71.75 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.556 0.694 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -45.79 1.47 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.704 2.27 . . . . 0.0 112.374 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.619 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 72.2 m-85 -93.08 148.47 21.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 96' ' ' LYS . 2.0 mtmp? -154.73 143.87 21.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.88 -177.85 6.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.8 p -121.38 -46.81 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -65.86 -51.78 55.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.404 ' SG ' ' HG3' ' A' ' 102' ' ' GLN . 30.0 p -98.5 -22.01 16.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.1 m 72.97 25.2 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.404 ' HG3' ' SG ' ' A' ' 100' ' ' CYS . 4.6 mt-30 -61.57 -174.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.601 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 32.4 mt-30 -140.43 154.84 46.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.601 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 5.1 m-85 -153.87 159.54 41.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.446 ' CE ' HG11 ' A' ' 87' ' ' VAL . 5.6 mmt -95.71 -27.01 15.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.455 ' C ' ' CE2' ' A' ' 95' ' ' TYR . 12.8 mt-30 -114.33 165.37 12.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.619 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 1.5 ttmp? -80.21 -45.1 18.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -61.62 -31.75 71.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -61.85 -37.64 85.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.6 tp -77.45 -51.4 10.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -49.38 -51.51 34.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 t -64.09 -36.75 85.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.545 ' CE1' HD11 ' A' ' 117' ' ' LEU . 2.6 t60 -62.44 -40.77 97.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 48.0 mtp -75.33 -26.5 58.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 16.2 mt -81.14 -26.58 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -92.73 -58.53 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.545 HD11 ' CE1' ' A' ' 113' ' ' HIS . 6.4 mt -72.64 -50.11 27.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.922 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -97.84 37.29 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.1 t -38.84 -58.18 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 150.38 138.21 2.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 123.48 10.16 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.7 m -70.34 -46.11 64.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 89.1 p -113.02 155.68 24.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.112 -0.826 . . . . 0.0 112.469 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 m -106.96 -48.39 3.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -150.04 124.47 9.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.87 41.38 0.42 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 m -108.99 129.13 55.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -59.0 136.1 57.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.77 176.93 38.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.503 ' CG1' ' HD3' ' A' ' 20' ' ' LYS . 27.3 m -79.93 174.94 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 111.125 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -141.52 139.72 33.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 14' ' ' HIS . 43.5 t -86.92 115.56 62.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.658 0.742 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 4.98 1.86 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.421 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 2.0 m -101.25 -53.33 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.2 p -118.58 9.21 12.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 10' ' ' CYS . 72.9 m-70 59.69 25.07 13.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.405 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 31.5 tttt -85.89 120.48 27.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -95.15 157.06 16.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.915 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.405 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 17.1 m-85 -136.84 174.15 10.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.515 HD22 ' CD2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -74.51 -36.16 63.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 m -142.53 158.37 43.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.503 ' HD3' ' CG1' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -56.33 -49.59 73.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' LYS . 75.8 t80 -35.57 -54.74 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.515 ' CD2' HD22 ' A' ' 18' ' ' LEU . 9.8 m-85 -59.5 -43.46 93.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' LYS . 33.1 tp -56.51 -43.31 79.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -60.46 -64.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 64.7 t -48.09 -35.66 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.52 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 3.1 t60 -70.85 -62.98 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.52 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -41.44 -52.81 3.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.51 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 50.8 mtt85 -34.38 -40.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -54.58 -50.3 68.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' ASN . 31.5 m-70 -42.83 -45.15 4.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.0 t -141.45 120.0 12.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.19 114.15 1.77 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.452 ' OE1' ' CZ ' ' A' ' 28' ' ' ARG . 35.3 tt0 -83.29 150.06 26.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 110.9 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.16 132.17 95.23 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.57 0.7 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.566 ' HG2' ' CD2' ' A' ' 36' ' ' PHE . 53.8 Cg_endo -69.79 2.2 3.76 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.705 2.27 . . . . 0.0 112.313 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 41.3 m-85 -145.2 157.52 44.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 44' ' ' CYS . 40.2 tt0 -167.77 134.67 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.3 t -49.49 110.33 1.54 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.693 0.759 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 0.83 5.02 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.754 2.302 . . . . 0.0 112.317 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -98.57 -40.28 8.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.7 p -119.74 -44.12 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.14 31.74 1.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.403 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 13.2 tptp -92.04 111.16 22.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.558 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 1.8 m -62.11 163.21 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 44' ' ' CYS . 9.9 m-85 -163.67 128.39 2.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -58.69 -54.97 41.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.05 129.06 51.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -54.66 -46.54 74.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -43.71 -46.07 7.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -65.01 -48.87 72.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.9 tp -51.72 -54.08 32.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.9 mt -46.4 -45.5 17.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -56.12 -58.64 7.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 55' ' ' GLU . 3.4 t60 -44.03 -53.45 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' HIS . 43.7 mt-10 -37.54 -44.82 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.01 -44.97 12.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -55.3 -62.43 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -151.24 158.9 44.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.5 t -174.59 111.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.1 ptp -49.47 156.53 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -85.05 135.03 34.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -43.57 122.26 2.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.5 p -173.46 134.65 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -103.06 99.71 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -78.47 108.27 11.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.6 m -115.97 167.51 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.45 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 9.8 m-85 -114.28 153.19 30.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 95.1 m -117.18 129.3 55.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.419 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.8 t -55.96 172.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.3 t -115.88 12.82 15.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.441 ' HB ' ' CD2' ' A' ' 89' ' ' HIS . 49.5 t -133.82 -44.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.0 p -117.15 -4.37 11.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 61.31 40.18 14.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.549 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -64.58 -174.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.6 p -127.72 126.98 42.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.558 ' CE1' HD13 ' A' ' 82' ' ' LEU . 14.9 m-85 -134.07 114.69 13.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -22.03 5.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.2 mtt-85 -134.47 166.38 23.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 80' ' ' MET . 7.3 tpt180 -73.35 -64.18 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.46 ' C ' ' O ' ' A' ' 79' ' ' ARG . 2.7 tpt -33.22 -53.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -46.01 -48.04 16.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.558 HD13 ' CE1' ' A' ' 76' ' ' PHE . 19.6 tp -56.84 -39.39 74.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.41 ' CB ' ' HG3' ' A' ' 105' ' ' MET . 10.8 mmm180 -62.82 -45.83 90.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.9 mt -67.43 -20.92 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -85.41 -40.31 16.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -48.72 -21.77 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.413 HG12 ' CE ' ' A' ' 105' ' ' MET . 4.1 m -55.07 -30.82 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.2 p -72.83 -13.63 61.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.441 ' CD2' ' HB ' ' A' ' 71' ' ' VAL . 82.3 m-70 -107.23 -32.77 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.6 p -82.62 -35.09 27.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.188 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 116.25 -33.66 5.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.455 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -174.54 143.8 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.478 ' CE ' ' HG2' ' A' ' 105' ' ' MET . 46.4 mtp -51.15 153.42 3.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.697 . . . . 0.0 110.837 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -47.82 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 89.6 m-85 -91.73 147.04 23.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -152.63 143.16 22.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.927 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.5 t -78.93 -175.5 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.6 t -126.27 -42.73 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 m -71.76 -40.05 69.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.518 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 30.2 p -113.01 -11.51 13.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 p 64.71 25.3 13.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.518 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.2 mm100 -59.56 -174.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.611 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 21.6 mt-30 -142.87 152.78 42.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 8.3 m-85 -152.43 164.75 36.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.478 ' HG2' ' CE ' ' A' ' 93' ' ' MET . 6.1 mmt -99.67 -26.22 14.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -120.79 154.38 35.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 29.7 tttm -68.49 -51.1 46.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -57.34 -26.62 61.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.0 -30.19 66.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.493 HD11 ' CE1' ' A' ' 104' ' ' PHE . 18.1 tp -83.34 -45.28 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.468 ' NE2' ' HZ3' ' A' ' 107' ' ' LYS . 26.7 mt-30 -53.92 -52.31 60.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -59.44 -41.42 89.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.572 ' CE1' HD13 ' A' ' 117' ' ' LEU . 5.1 t60 -58.03 -39.01 77.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 35.5 mtp -78.09 -22.45 48.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 17.9 mt -84.29 -26.1 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.1 -56.32 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.572 HD13 ' CE1' ' A' ' 113' ' ' HIS . 4.5 mt -78.9 -52.92 7.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 119' ' ' SER . 77.0 m-70 -88.95 32.83 0.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 118' ' ' HIS . 32.2 t -34.97 -54.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -136.06 146.21 18.19 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -0.57 7.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 2.254 . . . . 0.0 112.355 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 98.9 p -67.59 127.24 32.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.7 t -165.23 146.37 7.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.132 -0.816 . . . . 0.0 112.523 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 m -105.53 119.24 38.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 0.0 110.864 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -125.32 98.57 5.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.87 84.17 0.59 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.455 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -144.75 140.56 28.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.368 . . . . 0.0 110.833 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 m -159.32 178.35 10.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.52 -167.79 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.446 ' CG1' ' HD2' ' A' ' 20' ' ' LYS . 35.4 m -73.0 168.13 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 0.0 111.157 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -138.1 145.05 41.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.443 ' C ' ' H ' ' A' ' 12' ' ' THR . 34.9 t -95.67 113.49 62.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.632 0.73 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 10.59 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.384 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.559 HG21 ' CE1' ' A' ' 30' ' ' HIS . 3.1 m -104.89 -58.73 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.8 p -115.57 10.5 15.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 58.55 30.23 19.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' NZ ' ' HB2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -92.89 113.17 25.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -84.24 160.17 20.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -139.7 158.41 44.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.413 HD23 ' CD2' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -67.93 -39.65 83.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.0 t -136.85 158.76 43.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' LEU . 1.8 mppt? -58.57 -49.38 77.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' LYS . 19.5 t80 -35.94 -56.07 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.413 ' CD2' HD23 ' A' ' 18' ' ' LEU . 11.7 m-85 -59.22 -36.28 75.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 20' ' ' LYS . 53.4 tp -66.16 -60.91 2.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.938 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -48.15 -36.01 12.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.811 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.462 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 53.9 t -75.07 -38.59 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -68.93 -54.21 16.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -48.11 -43.14 30.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 27' ' ' ASN . 27.1 mtp85 -36.98 -40.44 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -60.35 -44.97 95.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.559 ' CE1' HG21 ' A' ' 12' ' ' THR . 14.1 m-70 -55.74 -75.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.2 t -49.17 146.92 3.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.12 -166.37 32.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -99.07 134.23 42.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -172.84 122.99 0.44 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.58 0.705 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -49.67 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.649 2.233 . . . . 0.0 112.37 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -133.26 161.9 33.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -155.74 131.19 9.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 t -54.98 112.69 4.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.59 4.33 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -98.88 -44.38 6.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.5 p -114.41 -42.83 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.66 38.02 2.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -100.21 114.04 27.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.9 p -60.41 155.17 18.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -154.45 115.17 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -41.15 -57.28 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 2.6 mmp_? -107.69 149.11 28.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 49' ' ' GLU . 12.0 ttpp -69.31 -44.67 71.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 48' ' ' LYS . 13.7 mt-10 -33.97 -55.5 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -61.49 -44.79 96.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 48' ' ' LYS . 17.9 tp -53.64 -44.71 69.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.1 mt -57.77 -45.38 86.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 54' ' ' HIS . 59.5 mt-10 -64.73 -65.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.504 ' CE1' ' HA ' ' A' ' 59' ' ' CYS . 1.7 t60 -36.13 -38.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.07 -49.75 76.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 53' ' ' GLU . . . -80.99 -50.58 9.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.092 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.454 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 25.7 mmt180 -53.63 -64.17 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 70.8 m-80 -165.03 121.8 1.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.504 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 10.5 t -94.66 -62.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.1 mmt -71.42 -53.8 12.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -62.38 175.65 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 62.87 41.06 9.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.2 p -80.85 177.16 9.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -49.16 121.39 4.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -91.69 105.24 17.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 28.5 m -82.2 171.1 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 9.3 m-85 -118.49 156.09 29.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 89.9 m -119.32 129.35 54.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.41 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.5 t -57.02 173.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.9 t -115.61 4.65 14.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.451 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 88.0 t -125.16 -48.69 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.0 p -113.1 -3.27 13.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 60.89 37.06 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 2.5 tp10 -61.14 -176.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.5 p -126.82 125.55 41.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 74' ' ' GLU . 8.4 m-85 -131.41 115.56 16.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.448 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -48.75 -34.82 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.448 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 21.2 mtp180 -124.12 171.4 9.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.561 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 17.0 tpt180 -76.59 -60.81 2.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.45 ' HE2' ' CD2' ' A' ' 84' ' ' LEU . 4.0 tpt -36.39 -48.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -48.53 -51.36 27.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.423 HD12 ' CE1' ' A' ' 76' ' ' PHE . 37.2 tp -53.87 -40.34 66.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -60.59 -43.85 96.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.45 ' CD2' ' HE2' ' A' ' 80' ' ' MET . 8.3 mt -71.91 -12.5 61.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.405 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 25.9 t60 -92.57 -43.65 9.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -48.09 -33.36 8.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.416 ' CG1' ' HG2' ' A' ' 93' ' ' MET . 3.7 m -49.97 -33.64 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.1 p -65.88 -27.73 68.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.451 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 65.5 m-70 -84.58 -55.15 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 91' ' ' GLY . 6.6 t -65.46 -42.65 92.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.438 ' N ' HG23 ' A' ' 90' ' ' THR . . . 134.08 -45.64 1.1 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.534 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -167.48 162.37 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.416 ' HG2' ' CG1' ' A' ' 87' ' ' VAL . 5.3 mtp -73.74 148.24 87.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.571 0.701 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -46.31 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.683 2.255 . . . . 0.0 112.378 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.401 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 98.1 m-85 -91.33 153.42 19.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 95' ' ' TYR . 12.7 mtmt -156.33 142.92 18.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.0 -174.95 4.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 m -124.28 -45.02 1.98 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.544 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.0 OUTLIER -70.61 -50.76 33.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.517 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.2 p -101.86 -13.14 17.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 65.4 m 64.46 31.88 12.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.517 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 3.5 mm-40 -61.27 -173.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.499 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 32.7 mt-30 -143.09 142.02 31.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 1.4 m-85 -144.19 167.13 23.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.5 mmt -107.13 -23.89 12.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -125.75 154.0 43.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -56.55 -67.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -42.58 -41.59 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -54.41 -38.33 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.491 HD11 ' CE1' ' A' ' 104' ' ' PHE . 21.4 tp -86.8 -55.49 3.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -47.68 -48.45 29.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.402 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 1.4 t -63.87 -39.91 95.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.611 ' CE1' HD13 ' A' ' 117' ' ' LEU . 3.6 t60 -59.88 -40.19 87.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.821 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 118' ' ' HIS . 47.7 mtp -76.09 -27.7 57.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.2 mt -80.1 -27.05 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.402 ' CD ' ' O ' ' A' ' 112' ' ' SER . 1.2 mptm? -88.61 -57.1 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.611 HD13 ' CE1' ' A' ' 113' ' ' HIS . 6.4 mt -80.18 -55.34 5.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.544 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 87.1 m-70 -84.59 27.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.0 t -39.57 -53.22 2.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 153.35 -155.62 26.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.555 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -41.39 4.26 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.0 m -48.43 119.63 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 54.3 p 45.69 41.96 7.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.82 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.478 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -113.49 103.75 11.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 m -114.37 82.51 1.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.11 77.04 0.28 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.538 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -103.61 -50.78 3.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.867 0.365 . . . . 0.0 110.831 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -107.64 150.98 26.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.28 171.08 12.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -83.18 174.14 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.42 ' CD ' ' HE2' ' A' ' 16' ' ' LYS . 16.7 tt0 -146.86 141.24 26.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.433 ' C ' ' H ' ' A' ' 12' ' ' THR . 32.2 t -89.8 113.18 55.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 9.86 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.518 HG23 ' CG ' ' A' ' 30' ' ' HIS . 3.1 m -105.21 -60.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.0 p -112.23 12.2 20.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 57.01 29.18 15.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.483 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 14.6 ttmt -90.41 114.27 26.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HE2' ' CD ' ' A' ' 9' ' ' GLU . 26.7 mttt -91.59 157.93 16.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.483 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 29.7 m-85 -135.98 -179.89 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.589 HD23 ' CD2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -84.28 -38.18 20.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -136.95 175.06 9.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' LEU . 9.4 mmtp -69.58 -50.98 39.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' A' ' 20' ' ' LYS . 20.3 t80 -36.03 -56.69 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.589 ' CD2' HD23 ' A' ' 18' ' ' LEU . 13.0 m-85 -56.48 -38.37 71.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 20' ' ' LYS . 60.2 tp -67.59 -61.91 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -45.46 -41.89 9.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.4 t -69.53 -40.02 79.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.524 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 3.6 t60 -72.33 -64.08 1.02 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.524 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -33.83 -51.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.5 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 37.3 mtt-85 -33.92 -47.75 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -38.81 -54.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.518 ' CG ' HG23 ' A' ' 12' ' ' THR . 87.1 m-70 -57.25 -56.79 17.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.3 p -65.02 122.08 16.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.144 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -111.5 57.16 0.44 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.7 -7.97 56.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.923 0.392 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -135.45 147.04 60.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.715 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.442 ' HB2' ' CD2' ' A' ' 36' ' ' PHE . 53.4 Cg_endo -69.74 -47.73 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.668 2.246 . . . . 0.0 112.332 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.442 ' CD2' ' HB2' ' A' ' 35' ' ' PRO . 61.2 m-85 -142.73 144.74 32.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -148.55 138.94 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 t -54.91 108.06 1.05 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.62 0.724 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 2.73 3.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -99.8 -34.57 10.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.426 ' CB ' ' HG2' ' A' ' 60' ' ' MET . 31.6 p -128.99 -46.4 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.29 49.3 0.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.44 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -104.21 121.83 44.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.536 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 26.7 p -72.3 155.61 40.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.536 ' CG ' ' O ' ' A' ' 44' ' ' CYS . 5.8 m-85 -174.97 110.49 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.953 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.42 -41.63 89.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -86.09 123.3 31.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -52.65 63.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -49.61 -56.38 10.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -46.14 -47.44 17.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.8 tp -61.4 -46.7 89.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.3 mt -55.97 -44.83 78.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.99 -53.09 62.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.487 ' CE1' ' O ' ' A' ' 58' ' ' ASN . 1.2 t60 -46.76 -54.15 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.462 ' N ' ' CD2' ' A' ' 54' ' ' HIS . 6.9 mt-10 -34.57 -41.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.09 -44.31 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -54.48 -63.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.487 ' O ' ' CE1' ' A' ' 54' ' ' HIS . 11.3 m120 -147.34 141.92 26.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.0 t -174.48 161.34 3.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.426 ' HG2' ' CB ' ' A' ' 41' ' ' CYS . 16.1 mmt -41.48 103.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -134.04 -52.91 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -124.06 -53.86 1.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.0 t -84.76 162.89 19.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.462 ' O ' ' C ' ' A' ' 65' ' ' GLN . 58.4 mt-10 -150.23 174.13 13.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.462 ' C ' ' O ' ' A' ' 64' ' ' GLU . 14.8 tt0 -32.85 105.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.41 ' HB ' ' O ' ' A' ' 76' ' ' PHE . 28.0 m -95.8 160.06 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.442 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 1.8 m-85 -107.33 169.47 8.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.1 m -133.77 129.53 36.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.1 t -62.43 170.05 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.4 t -112.73 5.24 17.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.43 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 92.6 t -124.29 -48.8 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.0 p -113.19 -3.22 13.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 60.07 37.15 21.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 3.0 tp10 -58.89 -179.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.4 p -127.39 122.82 34.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.593 ' CE1' HD13 ' A' ' 82' ' ' LEU . 10.5 m-85 -126.31 175.81 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.08 -27.78 6.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -119.56 158.61 25.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.435 ' NH1' ' HD3' ' A' ' 83' ' ' ARG . 1.9 tpm_? -70.98 -47.88 56.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.2 tpt -55.7 -46.49 77.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -45.98 -54.74 7.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.593 HD13 ' CE1' ' A' ' 76' ' ' PHE . 14.2 tp -51.4 -42.28 61.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.435 ' HD3' ' NH1' ' A' ' 79' ' ' ARG . 12.3 mmm180 -60.19 -41.37 92.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.4 mt -72.21 -14.37 61.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -91.93 -42.78 9.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -49.8 -32.86 14.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.404 ' CG1' ' HE1' ' A' ' 93' ' ' MET . 3.2 m -51.05 -31.81 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.0 p -66.78 -28.05 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.43 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 73.6 m-70 -84.85 -54.39 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.2 t -65.64 -41.2 92.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 128.54 -40.52 1.7 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -171.54 147.91 2.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.41 ' CG ' ' HB3' ' A' ' 103' ' ' GLN . 3.6 mtt -57.73 150.64 46.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -30.31 22.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.342 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.475 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 85.2 m-85 -115.5 152.74 32.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.9 mtmm -154.18 145.84 23.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -81.62 -176.5 6.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.0 p -123.45 -44.18 2.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.6 m -70.97 -47.4 59.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.517 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 20.8 p -103.5 -19.27 14.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.2 m 69.47 31.76 3.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.517 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 5.0 mm100 -65.71 -175.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.419 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 31.6 mt-30 -141.59 146.69 36.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.493 ' CE1' HD11 ' A' ' 110' ' ' LEU . 18.0 m-85 -147.33 163.48 36.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.5 mmt -96.97 -28.08 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -118.09 152.37 35.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.475 ' HG3' ' CE1' ' A' ' 95' ' ' TYR . 6.2 ttpp -64.11 -54.64 30.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 6.2 pttm -51.43 -39.02 56.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.47 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 7.9 t0 -55.32 -36.94 66.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.493 HD11 ' CE1' ' A' ' 104' ' ' PHE . 26.6 tp -78.09 -51.61 10.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -49.01 -50.8 34.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 t -62.76 -40.7 98.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.566 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.2 t60 -59.51 -40.74 88.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 44.5 mtp -76.73 -25.9 54.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 21.0 mt -82.45 -23.17 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -93.34 -57.21 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.566 HD12 ' CE1' ' A' ' 113' ' ' HIS . 6.3 mt -77.8 -53.74 7.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.404 ' O ' ' N ' ' A' ' 120' ' ' GLY . 71.7 m-70 -88.46 37.52 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.2 t -57.97 85.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 118' ' ' HIS . . . 81.05 157.73 17.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.451 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -33.77 15.89 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.715 2.276 . . . . 0.0 112.301 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.9 m -163.71 117.68 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.1 m -82.79 105.59 13.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.491 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 m -77.97 119.92 22.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 110.826 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.8 m -146.01 152.86 40.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.52 42.12 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 m -121.91 93.84 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.2 p -61.94 148.28 44.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.38 171.38 28.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.8 m -84.9 166.7 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 111.154 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -145.41 143.91 30.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.51 ' C ' ' H ' ' A' ' 12' ' ' THR . 24.3 t -88.2 115.67 63.89 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 19.56 0.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.519 HG23 ' CE1' ' A' ' 30' ' ' HIS . 6.6 m -118.25 -59.73 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.0 p -111.09 13.67 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 49.76 43.38 24.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.502 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 28.6 tttm -100.49 108.56 20.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -82.22 152.52 26.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.502 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 57.0 m-85 -133.04 -176.68 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.587 HD22 ' CD2' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -92.37 -39.62 11.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 t -130.9 144.47 51.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -52.08 -42.36 63.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.418 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 4.7 t80 -45.76 -34.97 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.587 ' CD2' HD22 ' A' ' 18' ' ' LEU . 7.5 m-85 -74.58 -34.83 62.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.2 tp -65.58 -54.8 22.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -55.26 -44.93 76.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.0 t -66.86 -37.9 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.131 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -69.35 -42.37 75.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.468 ' ND2' ' HB ' ' A' ' 31' ' ' THR . 4.6 t30 -49.16 -25.24 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 27' ' ' ASN . 34.6 mtp180 -34.36 -38.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 27' ' ' ASN . 2.7 mmmp? -62.26 -59.57 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.519 ' CE1' HG23 ' A' ' 12' ' ' THR . 13.9 m-70 -76.09 -71.33 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.502 ' C ' ' O ' ' A' ' 30' ' ' HIS . 5.2 t 29.48 54.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.183 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.2 102.19 0.16 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -60.31 152.32 25.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.389 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.544 ' HE2' ' CE2' ' A' ' 46' ' ' PHE . 16.9 mmtp -125.73 150.03 67.26 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 110.927 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -47.98 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -135.42 163.62 29.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.407 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 31.9 tt0 -164.74 128.55 2.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.48 ' N ' HD12 ' A' ' 51' ' ' LEU . 2.0 t -40.09 108.33 0.51 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.663 0.744 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 2.82 3.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.373 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.67 -41.76 6.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.0 p -116.71 -42.38 2.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.09 35.15 1.69 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.407 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 21.2 tptp -95.37 113.86 25.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.737 0.303 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 71.6 m -77.12 150.52 35.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -160.06 108.18 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.544 ' CE2' ' HE2' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -42.46 -50.93 5.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -83.81 122.72 29.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -55.18 -44.08 74.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -49.82 -59.65 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -45.96 -46.24 16.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.48 HD12 ' N ' ' A' ' 38' ' ' CYS . 21.1 tp -60.41 -54.17 48.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.3 mt -52.8 -52.7 55.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -48.4 -58.92 3.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.467 ' CD2' ' N ' ' A' ' 55' ' ' GLU . 2.3 t60 -47.1 -58.2 4.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.81 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.467 ' N ' ' CD2' ' A' ' 54' ' ' HIS . 13.2 mt-10 -33.73 -44.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.09 -45.76 11.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -54.4 -61.51 2.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -157.14 159.86 38.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 t -167.51 167.89 13.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 57.7 mtp -80.16 132.62 35.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -123.98 -48.08 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -61.73 129.05 39.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.3 t -135.64 109.75 8.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -115.66 131.28 56.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -74.15 103.32 4.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 31.9 m -95.33 168.15 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.539 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 9.2 m-85 -117.95 147.92 42.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 94.5 m -112.72 130.44 56.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.454 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 5.9 t -58.01 171.72 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.7 t -111.59 -0.95 15.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.465 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 90.8 t -118.35 -50.17 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.8 p -111.91 -4.3 14.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.454 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 57.6 mm-40 61.75 33.69 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.581 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.8 tp10 -56.85 -176.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.1 p -126.36 126.63 44.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 9.5 m-85 -133.4 114.16 13.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -49.06 -33.55 11.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.443 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 35.8 mtt180 -124.36 169.25 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.539 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 2.6 tpp85 -75.41 -61.22 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' ARG . 3.8 tpt -35.58 -48.68 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -48.34 -52.08 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.421 HD11 ' CE1' ' A' ' 76' ' ' PHE . 42.5 tp -53.94 -39.81 66.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.3 mmm-85 -60.97 -42.89 99.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.402 ' CD2' ' HE2' ' A' ' 80' ' ' MET . 7.4 mt -73.48 -12.62 60.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.408 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 22.1 t60 -92.8 -43.19 9.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -48.7 -33.57 10.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.447 ' CG1' ' HG2' ' A' ' 93' ' ' MET . 6.6 m -49.09 -34.27 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.9 p -65.44 -28.87 69.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.465 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 60.5 m-70 -83.83 -54.65 4.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.9 t -66.69 -41.31 88.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 131.24 -42.85 1.35 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -173.01 149.38 1.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.348 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.447 ' HG2' ' CG1' ' A' ' 87' ' ' VAL . 9.3 mtp -56.47 152.88 22.54 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.566 0.698 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -48.73 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.311 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.474 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 90.1 m-85 -90.39 150.9 21.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -154.32 144.4 21.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -76.01 -176.33 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.4 m -122.48 -46.54 2.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -68.01 -47.74 67.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.844 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.487 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.0 p -103.42 -22.52 13.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 t 73.81 31.57 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.487 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.7 mm100 -60.56 -174.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.52 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 33.8 mt-30 -140.93 142.72 34.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.4 m-85 -148.9 157.78 43.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.8 mmt -94.01 -27.84 16.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -116.1 149.59 38.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.474 ' HG3' ' CE1' ' A' ' 95' ' ' TYR . 1.7 ttpm? -63.78 -54.93 27.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -51.44 -36.83 45.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.436 ' N ' ' HG2' ' A' ' 108' ' ' LYS . 1.9 t70 -58.2 -37.25 74.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.4 tp -77.03 -51.21 11.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -48.23 -50.15 30.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.69 -41.06 98.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.602 ' CE1' HD12 ' A' ' 117' ' ' LEU . 5.2 t60 -59.26 -38.86 81.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.47 ' O ' ' C ' ' A' ' 118' ' ' HIS . 34.1 mtp -78.93 -29.26 44.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 21.2 mt -77.43 -29.83 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.02 -58.44 2.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.602 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.6 mt -77.28 -55.88 5.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.47 ' C ' ' O ' ' A' ' 114' ' ' MET . 92.0 m-70 -87.37 35.33 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.4 t -45.77 -52.81 10.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' A' ' 122' ' ' SER . . . -147.14 -142.01 3.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.449 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 12.49 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.464 ' H ' ' C ' ' A' ' 120' ' ' GLY . 9.1 t -77.49 178.75 6.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 55.2 m 64.78 44.73 3.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.107 -0.83 . . . . 0.0 112.456 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 1' ' ' GLY . 94.9 p 35.89 41.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.844 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 p -127.69 150.25 49.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.83 -85.36 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t 66.97 39.87 3.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.895 0.378 . . . . 0.0 110.818 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.8 p -133.04 161.78 33.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.36 -165.31 11.07 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.44 HG13 ' CD ' ' A' ' 20' ' ' LYS . 15.6 m -88.84 172.35 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.117 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.405 ' CB ' ' HG2' ' A' ' 16' ' ' LYS . 13.6 tt0 -143.97 144.03 31.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.408 ' C ' ' H ' ' A' ' 12' ' ' THR . 36.2 t -92.94 112.07 54.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.671 0.748 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 6.79 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.649 2.233 . . . . 0.0 112.401 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.431 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 3.4 m -100.16 -58.78 1.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.2 p -115.82 11.96 15.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 59.24 27.19 16.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.516 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 71.5 tttt -88.37 111.06 21.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HG2' ' CB ' ' A' ' 9' ' ' GLU . 32.0 mtmt -90.61 157.67 17.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.516 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 32.8 m-85 -135.65 -176.53 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.452 HD23 ' CD2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -85.2 -39.95 17.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.9 t -135.16 171.44 14.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' LEU . 19.5 mmtt -67.48 -53.19 30.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.426 ' CD1' ' HE3' ' A' ' 24' ' ' LYS . 75.3 t80 -37.69 -52.53 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.452 ' CD2' HD23 ' A' ' 18' ' ' LEU . 7.3 m-85 -57.72 -37.84 74.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 26' ' ' HIS . 12.6 tp -67.19 -64.46 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 8.8 pttp -43.37 -39.37 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.456 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 98.3 t -68.96 -30.92 48.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' LEU . 4.8 t60 -82.25 -36.96 26.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 30' ' ' HIS . 9.5 t30 -57.75 -55.42 35.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 27' ' ' ASN . 19.2 ptt180 -34.31 -39.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -56.23 -48.71 75.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 27' ' ' ASN . 30.8 m-70 -49.87 -55.59 13.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.3 p -63.73 127.59 32.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.7 138.3 29.63 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -116.15 151.75 35.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.866 0.365 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.579 ' HE3' ' CE2' ' A' ' 46' ' ' PHE . 30.9 mttp -53.0 152.69 7.01 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.561 0.696 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -17.06 37.72 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.619 2.213 . . . . 0.0 112.386 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -140.08 154.74 47.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 35.3 tt0 -167.0 140.84 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.476 ' CA ' HD11 ' A' ' 51' ' ' LEU . 3.2 t -58.56 109.6 1.97 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.638 0.732 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 2.51 3.47 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.631 2.22 . . . . 0.0 112.338 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -100.98 -38.14 8.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.2 p -122.49 -44.59 2.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.63 31.89 1.71 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 1.2 tptm -86.19 105.93 16.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.745 0.307 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.9 p -71.88 147.95 46.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.479 ' N ' ' HD2' ' A' ' 34' ' ' LYS . 13.1 m-85 -157.88 127.11 5.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.579 ' CE2' ' HE3' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -52.06 -56.6 13.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.57 131.12 35.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -66.37 -36.8 83.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -62.26 -54.51 39.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -44.16 -52.29 7.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.476 HD11 ' CA ' ' A' ' 38' ' ' CYS . 12.2 tp -55.88 -54.04 49.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.4 mt -43.72 -43.1 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.6 -62.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -39.99 -49.3 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -43.33 -43.09 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.71 -46.02 10.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -53.97 -60.66 3.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -158.73 152.49 23.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.8 t -158.75 164.47 35.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 63.9 mtm -94.01 117.85 30.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -146.8 109.59 4.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -147.93 171.92 15.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.1 t -49.97 99.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.802 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -93.71 80.87 4.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -119.11 113.89 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 28.9 m -117.14 167.87 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 11.5 m-85 -114.82 153.2 30.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 89.0 m -117.1 129.67 56.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.41 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 4.7 t -56.25 173.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.8 t -114.74 4.75 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.442 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 97.6 t -126.5 -47.95 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.466 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.4 p -113.91 -0.95 13.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.41 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 50.5 mm-40 57.58 37.18 27.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.586 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.4 tp10 -60.34 -175.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.9 p -126.09 127.0 45.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 16.1 m-85 -133.9 119.3 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -32.6 42.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.833 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -126.47 170.29 12.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.537 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 6.8 tpt180 -76.37 -60.26 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 79' ' ' ARG . 2.5 tpt -36.4 -49.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -49.77 -47.97 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.556 HD13 ' CE1' ' A' ' 76' ' ' PHE . 19.1 tp -57.31 -38.25 73.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -62.25 -44.19 97.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.0 mt -71.48 -14.8 62.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -88.67 -41.96 12.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.41 -27.16 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.451 HG12 ' CE ' ' A' ' 105' ' ' MET . 4.8 m -53.41 -34.05 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.3 t -65.55 -29.96 70.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.442 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 71.1 m-70 -84.25 -55.2 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.5 t -68.28 -42.01 80.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 141.83 -68.54 0.46 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.453 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -151.21 170.25 19.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.486 ' CE ' ' HG2' ' A' ' 105' ' ' MET . 40.0 mtp -76.53 151.75 83.05 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -47.9 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.283 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 86.1 m-85 -91.06 149.43 21.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -152.89 145.36 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.05 -176.94 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.8 t -123.39 -45.66 2.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.6 m -67.92 -47.94 67.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.524 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 20.0 p -104.25 -16.89 15.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 22.8 m 67.91 31.95 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.524 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.3 mm-40 -64.44 -173.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.513 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 30.1 mt-30 -142.29 145.3 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 6.0 m-85 -148.18 161.39 41.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.486 ' HG2' ' CE ' ' A' ' 93' ' ' MET . 4.7 mmt -96.54 -26.46 15.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -116.76 159.98 21.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 69.2 tttt -74.82 -49.92 18.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 11.3 ptpt -56.9 -36.94 70.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.446 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 3.0 t70 -58.8 -36.09 73.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 24.3 tp -76.71 -51.79 10.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -48.1 -50.6 27.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.3 t -61.76 -43.67 98.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.579 ' CE1' HD12 ' A' ' 117' ' ' LEU . 3.6 t60 -58.32 -37.91 76.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.46 ' O ' ' C ' ' A' ' 118' ' ' HIS . 42.7 mtp -78.95 -24.92 43.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 19.3 mt -79.43 -30.99 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -86.82 -59.38 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.579 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.0 mt -74.56 -54.89 6.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.46 ' C ' ' O ' ' A' ' 114' ' ' MET . 74.6 m-70 -90.11 35.84 0.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.1 p -49.21 -47.33 46.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 110.43 149.38 12.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 176.81 6.25 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.747 2.298 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 60.3 p -153.68 162.79 40.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 26.1 p -109.2 -47.79 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.456 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m -98.56 92.76 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 110.885 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 t -170.64 139.59 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.922 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.5 132.8 6.99 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -98.47 111.48 23.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 t -92.93 117.73 30.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.45 -168.92 31.24 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.47 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.1 m -97.15 175.12 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -145.73 137.76 25.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.9 t -88.8 114.71 61.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.632 0.729 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 5.15 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.331 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.439 HG23 ' CG ' ' A' ' 30' ' ' HIS . 3.9 m -100.67 -58.5 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.151 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.2 p -115.21 14.85 17.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 53.04 27.86 6.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -89.85 109.46 20.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -85.15 159.15 20.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 26' ' ' HIS . 60.0 m-85 -137.42 176.47 8.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mp -69.88 -42.17 73.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.1 t -146.01 172.99 12.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' LEU . 19.6 mmmt -60.1 -45.32 93.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -39.96 -52.22 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -63.84 -30.23 71.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.951 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' LYS . 45.8 tp -71.15 -59.99 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 17.4 ptpt -48.49 -40.16 25.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.431 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 91.1 t -72.19 -38.16 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' ASN . 5.0 t60 -72.41 -62.84 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -35.11 -42.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.9 mtt-85 -39.13 -48.5 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -43.96 -49.88 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.439 ' CG ' HG23 ' A' ' 12' ' ' THR . 71.6 m-70 -56.47 -62.78 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.2 p -52.86 107.19 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.24 159.99 25.23 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -108.2 172.92 6.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.935 0.398 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 2.8 ptpp? -121.11 99.82 46.13 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.542 0.687 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 34' ' ' LYS . 54.1 Cg_endo -69.74 -48.34 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -125.4 145.96 49.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 25.0 tt0 -151.52 127.85 10.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.419 ' N ' HD11 ' A' ' 51' ' ' LEU . 3.5 t -45.15 110.42 1.09 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.65 0.738 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 1.73 4.16 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.744 2.296 . . . . 0.0 112.365 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -100.69 -47.02 4.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.471 ' CB ' ' HB2' ' A' ' 60' ' ' MET . 27.9 p -110.18 -43.07 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.25 44.31 1.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.504 ' HE2' ' N ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -103.82 101.97 11.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.3 . . . . 0.0 110.859 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.504 ' N ' ' HE2' ' A' ' 43' ' ' LYS . 26.3 p -49.54 171.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.486 ' CD2' ' O ' ' A' ' 44' ' ' CYS . 9.9 m-85 -173.49 126.8 0.41 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -55.0 -47.0 75.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -109.15 152.78 24.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -75.55 -44.13 45.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -48.58 -56.17 9.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -49.91 -47.97 51.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.419 HD11 ' N ' ' A' ' 38' ' ' CYS . 15.4 tp -52.19 -46.21 65.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.4 mt -53.81 -50.22 66.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -50.43 -44.88 55.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.489 ' CD2' ' C ' ' A' ' 54' ' ' HIS . 0.8 OUTLIER -62.92 -49.53 74.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -39.54 -43.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.05 -43.86 11.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -65.24 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -153.51 157.42 39.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 t -163.83 163.12 23.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.471 ' HB2' ' CB ' ' A' ' 41' ' ' CYS . 36.1 ttm -41.6 104.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -90.76 -54.64 3.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.476 ' CZ ' ' HA ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -66.42 102.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.0 t -123.2 95.33 4.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -171.37 123.98 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -96.6 104.74 16.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.9 m -92.68 168.82 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.535 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 21.0 m-85 -118.17 148.85 41.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.9 m -112.18 128.53 56.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.423 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 4.7 t -55.57 173.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.1 t -115.03 4.86 14.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.806 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.451 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 87.1 t -126.18 -48.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.4 p -113.07 -2.24 14.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.423 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 24.3 mm-40 60.5 34.93 20.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.596 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 1.1 tp10 -58.41 -178.58 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.7 p -124.71 126.79 46.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.596 ' CZ ' ' HB3' ' A' ' 74' ' ' GLU . 10.7 m-85 -132.93 118.28 18.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -32.3 49.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 -123.21 168.97 11.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.535 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 9.1 tpt180 -76.41 -63.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 79' ' ' ARG . 3.4 tpt -36.59 -47.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -47.96 -52.4 19.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.446 HD11 ' CE1' ' A' ' 76' ' ' PHE . 20.2 tp -54.76 -36.85 65.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -62.43 -44.56 96.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.2 mt -70.82 -15.99 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.409 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 22.9 t60 -88.2 -40.09 13.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.25 -32.65 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.433 ' CG1' ' HG2' ' A' ' 93' ' ' MET . 3.9 m -52.4 -32.08 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.141 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.4 p -65.82 -28.84 69.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.451 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 62.8 m-70 -82.71 -55.91 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.2 t -68.9 -38.51 79.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 128.19 -53.12 0.81 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -157.06 151.63 25.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.86 0.362 . . . . 0.0 110.902 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.433 ' HG2' ' CG1' ' A' ' 87' ' ' VAL . 7.3 mtp -60.24 153.29 58.71 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.538 0.685 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -48.03 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.372 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -91.21 149.0 21.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -152.02 151.54 31.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.1 -175.25 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.8 p -122.9 -45.8 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -69.65 -47.8 62.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.516 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 18.6 p -103.93 -15.39 15.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.5 m 64.66 33.75 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.516 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.0 mm-40 -64.03 -173.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.484 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 35.4 mt-30 -140.51 142.56 35.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 5.6 m-85 -147.26 160.42 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.1 mmt -99.44 -24.56 14.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -116.65 155.6 28.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -71.69 -49.98 34.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 4.7 pttm -56.15 -36.23 68.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.934 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 7.0 t0 -60.19 -36.96 78.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 24.5 tp -75.94 -49.15 18.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -52.49 -50.81 62.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.412 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 2.4 t -62.64 -38.51 90.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.585 ' CE1' HD11 ' A' ' 117' ' ' LEU . 5.3 t60 -63.73 -39.44 94.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 118' ' ' HIS . 39.4 mtp -76.57 -32.64 58.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.2 mt -76.98 -29.79 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.412 ' CD ' ' O ' ' A' ' 112' ' ' SER . 3.2 mptt -86.79 -58.28 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.585 HD11 ' CE1' ' A' ' 113' ' ' HIS . 5.8 mt -75.43 -55.29 5.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 114' ' ' MET . 75.4 m-70 -90.22 36.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 40.3 p -47.65 -48.32 28.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 119.92 178.38 16.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 152.69 69.36 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.315 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 81.3 p -118.36 170.87 8.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 26.8 m -153.46 149.94 28.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.486 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.2 t -50.88 119.1 3.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -96.31 -61.97 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.27 97.87 1.25 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p -51.13 -57.16 9.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -170.24 176.54 4.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.806 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.06 176.81 25.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.4 m -99.44 170.49 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 111.153 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -136.57 139.4 42.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -90.95 115.23 63.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.639 0.733 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 5.63 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.415 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 4.1 m -101.67 -56.62 2.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 p -117.05 15.38 15.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 51.67 29.04 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.814 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -91.79 113.9 26.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -81.84 161.9 23.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -143.62 169.34 17.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.427 HD11 ' N ' ' A' ' 18' ' ' LEU . 9.4 mp -61.09 -53.5 56.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.947 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 t -146.34 167.24 24.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' O ' ' C ' ' A' ' 21' ' ' TYR . 2.5 mptp? -43.75 -58.16 2.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.475 ' C ' ' O ' ' A' ' 20' ' ' LYS . 8.8 t80 -32.13 -60.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -55.89 -46.81 78.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' LYS . 57.4 tp -52.75 -49.13 66.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -54.75 -66.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.7 t -42.84 -38.22 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.403 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 4.7 t60 -69.7 -60.66 2.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -40.08 -44.63 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 27' ' ' ASN . 69.5 mtp180 -35.42 -44.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -48.55 75.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' ASN . 12.8 m-70 -50.43 -44.21 55.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.0 p -81.76 112.49 18.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -121.9 -116.92 2.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -75.68 4.19 8.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.956 0.408 . . . . 0.0 110.922 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -132.95 89.72 33.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 -42.59 3.23 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.262 . . . . 0.0 112.287 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -138.39 117.29 12.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.438 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 22.0 tt0 -125.27 148.41 48.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.413 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 4.1 t -64.32 114.51 14.36 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.654 0.74 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -10.91 29.67 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.318 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -86.81 -46.68 9.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 38' ' ' CYS . 28.3 p -111.59 -47.26 3.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.24 38.48 1.36 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.438 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 13.4 tptm -98.08 118.82 35.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.8 p -78.53 158.45 28.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -160.92 109.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -40.61 -60.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -93.56 120.11 33.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' GLU . 38.2 tttt -46.45 -45.97 18.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' LYS . 23.7 tt0 -36.22 -49.63 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -59.58 -57.18 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.2 tp -45.58 -56.45 5.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.9 mt -43.96 -50.9 8.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -55.25 -66.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.55 ' CE1' ' HA ' ' A' ' 59' ' ' CYS . 1.3 t60 -37.58 -48.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -45.92 -43.64 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.24 -48.78 8.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -53.88 -60.5 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 54' ' ' HIS . 19.3 t-20 -165.62 151.24 9.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.55 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 17.8 t -139.43 141.82 37.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.414 ' CG ' ' O ' ' A' ' 59' ' ' CYS . 23.7 ptp 44.37 36.06 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -47.98 -49.96 28.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -59.2 118.9 6.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.5 t -105.37 -7.14 19.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -96.71 135.51 38.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -91.12 101.72 14.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.3 m -87.89 165.78 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 11.1 m-85 -112.51 151.8 29.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.5 m -115.49 123.08 47.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.417 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 4.5 t -47.36 175.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.6 p -114.55 4.41 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.466 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 85.5 t -127.36 -47.85 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.129 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.7 p -113.89 0.09 14.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.417 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 22.6 mm-40 58.69 32.74 22.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.582 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -53.22 -174.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.869 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.6 p -127.7 126.17 41.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.154 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.582 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 13.5 m-85 -134.61 118.72 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -52.2 -32.84 38.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.402 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 19.9 mtp85 -125.67 167.46 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.554 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 15.9 ttp180 -72.52 -64.79 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 79' ' ' ARG . 4.6 tpt -33.07 -48.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -49.74 -49.03 49.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.509 HD13 ' CE1' ' A' ' 76' ' ' PHE . 13.8 tp -55.29 -35.35 64.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -66.48 -45.1 80.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.419 ' CD2' ' HE3' ' A' ' 93' ' ' MET . 8.5 mt -69.04 -14.12 62.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -89.54 -42.07 11.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.419 ' HA ' ' HE2' ' A' ' 86' ' ' MET . 0.2 OUTLIER -50.05 -29.92 9.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.451 HG12 ' CE ' ' A' ' 105' ' ' MET . 5.5 m -49.41 -34.51 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.2 p -68.61 -27.69 66.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.466 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 48.6 m-70 -83.73 -51.89 6.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.5 t -74.16 -30.12 62.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 133.61 -65.18 0.59 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.41 ' C ' ' OE1' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -159.61 174.69 14.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.913 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.419 ' HE3' ' CD2' ' A' ' 84' ' ' LEU . 4.3 mtt -76.56 148.48 80.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.706 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -47.4 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.651 2.234 . . . . 0.0 112.335 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 72.7 m-85 -96.2 151.28 19.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.57 152.56 31.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -84.85 -179.03 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 63.5 m -121.47 -44.52 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -69.91 -48.64 57.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.808 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.496 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 22.8 p -102.14 -18.31 15.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.6 m 69.25 30.41 4.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.496 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.6 mm-40 -62.66 -174.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.478 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 33.0 mt-30 -140.87 143.97 35.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 8.0 m-85 -147.17 159.75 43.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.451 ' CE ' HG12 ' A' ' 87' ' ' VAL . 5.1 mmt -95.26 -25.57 16.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -118.25 157.03 27.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 48.8 tttt -71.59 -51.22 24.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 35.8 pttt -55.08 -37.5 66.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.45 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 3.0 t70 -58.13 -37.8 75.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.2 tp -75.55 -51.9 11.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -49.28 -50.2 40.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 t -62.84 -40.81 98.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.579 ' CE1' HD13 ' A' ' 117' ' ' LEU . 4.6 t60 -60.91 -38.1 84.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 45.6 mtp -78.93 -29.57 44.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.1 mt -78.26 -25.11 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -91.74 -57.38 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.579 HD13 ' CE1' ' A' ' 113' ' ' HIS . 5.7 mt -77.09 -54.31 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 120' ' ' GLY . 73.1 m-70 -88.67 37.75 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.0 t -57.97 84.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 118' ' ' HIS . . . -108.07 167.02 13.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.502 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 110.68 2.61 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.9 t -90.77 160.59 15.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 59.6 p -168.57 154.67 6.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.491 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -150.29 168.02 25.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 0.0 110.849 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.3 p -157.61 167.67 29.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.88 151.84 8.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.7 p -123.38 102.59 7.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 p -78.14 170.09 17.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.07 174.15 14.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.4 m -78.4 174.47 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.788 0.328 . . . . 0.0 111.114 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -140.65 145.63 36.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.413 ' C ' ' H ' ' A' ' 12' ' ' THR . 39.0 t -96.18 115.31 65.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 8.34 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.523 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.6 m -105.01 -61.0 1.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.3 p -110.52 13.0 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 54.98 28.09 10.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -88.58 122.37 31.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -95.87 154.57 17.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -139.17 172.37 12.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.7 mt -59.99 -58.59 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 m -131.38 165.26 23.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' CG ' ' HE2' ' A' ' 24' ' ' LYS . 1.7 tppp? -56.9 -37.83 71.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -45.46 -54.13 7.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -61.75 -38.87 89.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.0 tp -59.05 -56.24 24.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.402 ' HE2' ' CG ' ' A' ' 20' ' ' LYS . 50.7 mttm -46.67 -59.1 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.3 t -51.31 -36.61 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.447 ' O ' ' C ' ' A' ' 27' ' ' ASN . 3.9 t60 -69.94 -58.3 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' HIS . 0.4 OUTLIER -34.01 -43.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 27' ' ' ASN . 70.3 mtt-85 -36.88 -48.41 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -43.7 -47.89 7.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.523 ' CG ' HG21 ' A' ' 12' ' ' THR . 65.5 m-70 -62.79 -55.37 27.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.0 p -61.54 157.35 17.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 136.52 66.35 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 33' ' ' GLU . 8.2 tt0 -133.13 5.96 3.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.961 0.41 . . . . 0.0 110.893 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.417 ' C ' ' H ' ' A' ' 36' ' ' PHE . 79.3 mttt -133.1 87.73 38.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.547 0.689 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 36' ' ' PHE . 54.0 Cg_endo -69.73 8.37 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.629 2.22 . . . . 0.0 112.348 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.582 ' CD1' ' HG2' ' A' ' 35' ' ' PRO . 68.6 m-85 -137.23 142.52 42.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.446 ' HG2' ' N ' ' A' ' 38' ' ' CYS . 36.7 tt0 -145.03 160.75 40.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.446 ' N ' ' HG2' ' A' ' 37' ' ' GLU . 4.6 t -79.94 112.7 32.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.681 0.753 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 1.02 4.83 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -99.66 -41.47 7.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.8 p -120.08 -40.62 2.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.6 33.31 2.91 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.436 ' HD2' ' CZ ' ' A' ' 45' ' ' TYR . 5.5 tmtm? -94.98 111.74 23.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.1 m -67.59 158.1 32.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.436 ' CZ ' ' HD2' ' A' ' 43' ' ' LYS . 18.8 m-85 -150.1 146.16 26.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -62.06 -54.61 39.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -111.68 150.5 30.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' GLU . 24.2 tttt -56.96 -53.71 54.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' LYS . 3.3 mp0 -37.66 -59.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -47.77 -46.0 29.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.412 HD11 ' C ' ' A' ' 37' ' ' GLU . 8.1 tp -62.01 -50.58 71.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.1 mt -53.05 -47.98 68.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 56' ' ' ALA . 59.7 mt-10 -58.75 -66.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.479 ' CE1' ' HA ' ' A' ' 59' ' ' CYS . 3.0 t60 -35.61 -42.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -59.79 -48.9 79.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 53' ' ' GLU . . . -75.61 -54.24 7.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.14 -61.58 2.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -168.17 124.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.479 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 15.8 t -96.02 -54.99 3.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.89 164.8 26.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -100.39 138.22 37.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -138.58 153.75 48.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 52.5 p -54.86 169.63 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -38.98 126.38 1.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -128.8 95.92 4.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.0 m -69.79 168.38 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 26.8 m-85 -119.34 147.82 43.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.0 m -110.59 126.2 54.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.421 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.2 t -50.16 176.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 m -117.16 4.58 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.44 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 92.0 t -127.96 -47.38 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.477 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.6 p -113.54 -0.47 14.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 58.28 34.81 24.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -57.27 -176.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.2 p -125.98 123.27 38.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 74' ' ' GLU . 9.2 m-85 -129.79 117.62 20.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -52.19 -33.27 40.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.408 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 41.9 mtt-85 -123.66 165.93 16.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.566 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 12.5 tpt180 -72.72 -61.42 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.437 ' HE1' ' CD2' ' A' ' 84' ' ' LEU . 2.6 tpt -35.92 -48.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -48.11 -51.78 23.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.536 HD13 ' CE1' ' A' ' 76' ' ' PHE . 18.5 tp -52.92 -37.11 60.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -64.74 -45.24 87.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.437 ' CD2' ' HE1' ' A' ' 80' ' ' MET . 6.4 mt -70.57 -16.38 62.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -87.21 -43.3 12.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.413 ' HE2' ' SG ' ' A' ' 69' ' ' CYS . 0.1 OUTLIER -49.62 -32.54 13.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.3 m -47.64 -35.92 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -66.38 -30.09 70.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.44 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 59.3 m-70 -81.56 -53.06 6.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.0 t -67.82 -40.35 83.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 130.64 -43.23 1.32 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -172.86 151.13 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.898 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.9 mtt -55.61 152.93 16.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -49.92 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 83.7 m-85 -93.89 152.92 18.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -155.08 146.24 22.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -79.3 -174.59 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.9 m -124.38 -45.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.3 t -70.73 -49.56 45.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.503 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.3 p -101.47 -15.73 17.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.0 m 66.02 31.98 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.503 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.3 mm-40 -62.32 -174.18 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.553 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 30.9 mt-30 -142.37 143.92 32.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.553 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.0 m-85 -147.11 165.52 29.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.1 mmt -99.87 -26.8 13.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -117.08 157.24 26.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 80.0 tttt -72.26 -50.86 23.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 33.9 pttt -55.58 -38.21 69.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.29 -36.02 72.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.438 HD12 ' CE1' ' A' ' 104' ' ' PHE . 19.6 tp -76.13 -51.15 12.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -49.29 -50.04 40.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.422 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 2.3 t -62.04 -41.2 97.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.569 ' CE1' HD13 ' A' ' 117' ' ' LEU . 4.2 t60 -59.42 -38.76 81.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.875 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.454 ' O ' ' C ' ' A' ' 118' ' ' HIS . 42.3 mtp -77.29 -31.66 54.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.2 mt -76.46 -28.75 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.422 ' CD ' ' O ' ' A' ' 112' ' ' SER . 0.5 OUTLIER -86.96 -56.63 3.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.802 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.569 HD13 ' CE1' ' A' ' 113' ' ' HIS . 5.9 mt -79.28 -56.13 4.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 95.4 m-70 -86.01 32.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.1 t -57.14 83.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 118' ' ' HIS . . . -85.84 165.65 38.47 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.453 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -31.83 20.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.71 2.274 . . . . 0.0 112.335 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 77.7 p 40.35 41.75 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.5 p 41.65 43.84 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.491 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -98.29 147.48 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -91.81 -63.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.22 -146.49 29.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 m 55.73 44.92 25.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.852 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -155.95 171.77 19.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.99 175.07 53.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.5 m -82.22 -179.62 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -152.2 148.74 27.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.46 ' C ' ' H ' ' A' ' 12' ' ' THR . 3.5 t -88.25 117.15 68.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.641 0.734 . . . . 0.0 110.85 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 12.34 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.721 2.28 . . . . 0.0 112.334 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.46 ' H ' ' C ' ' A' ' 10' ' ' CYS . 50.6 m -120.71 -58.39 1.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.9 p -100.84 -8.81 22.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 64.19 43.14 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.554 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 14.1 ttmm -103.79 109.31 20.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -77.33 140.22 39.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.554 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 70.9 m-85 -128.0 159.41 35.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.8 mt -49.55 -64.83 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 t -125.34 151.13 46.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' A' ' 23' ' ' LEU . 9.1 tppt? -44.87 -46.2 10.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' LYS . 36.7 t80 -37.27 -39.53 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -76.95 -36.88 56.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 20' ' ' LYS . 27.9 tp -67.54 -46.24 73.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -61.95 -38.49 88.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.6 t -73.07 -38.52 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -70.31 -48.55 56.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.471 ' O ' ' C ' ' A' ' 28' ' ' ARG . 1.7 t30 -45.64 -43.12 12.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 27' ' ' ASN . 33.5 mtp180 -32.87 -39.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 27' ' ' ASN . 20.4 mttm -57.41 -53.43 58.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' ASN . 57.5 m-70 -53.54 -47.58 69.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.6 p -70.53 120.78 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.78 124.18 2.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -100.77 177.23 5.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.398 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -122.17 144.15 40.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.699 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.515 ' HG2' ' CD2' ' A' ' 36' ' ' PHE . 53.5 Cg_endo -69.77 2.25 3.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.755 2.303 . . . . 0.0 112.324 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.515 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 60.7 m-85 -143.73 135.57 26.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 26.1 tt0 -154.52 156.48 36.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.1 t -76.55 113.05 25.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.582 0.706 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 1.88 4.05 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.623 2.215 . . . . 0.0 112.353 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -98.02 -38.55 9.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.4 p -124.56 -46.32 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.8 46.33 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.431 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 13.6 tptm -102.43 125.12 49.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.73 0.3 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 20.3 p -72.55 147.19 46.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -152.22 116.64 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -44.0 -57.64 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -97.82 149.3 22.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' GLU . 9.3 ttpp -73.94 -53.23 10.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' LYS . 14.6 mm-40 -36.55 -59.02 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -53.25 -46.7 69.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.2 tp -57.09 -52.46 65.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.3 mt -46.86 -40.21 13.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 54' ' ' HIS . 32.8 mt-10 -63.91 -65.17 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' GLU . 2.6 t60 -36.14 -48.7 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -40.26 -45.72 2.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -93.14 -43.47 8.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -54.25 -62.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -147.34 146.21 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.3 t -167.82 112.36 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.3 mmt 45.61 41.55 7.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 62' ' ' ARG . 4.7 m120 -54.51 100.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 61' ' ' ASN . 19.5 ttp180 33.88 42.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -101.8 137.67 39.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -79.91 157.16 26.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -82.76 101.02 10.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.8 m -89.88 171.68 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 9.9 m-85 -116.07 150.39 37.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.9 m -115.05 130.93 57.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.413 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.7 t -60.72 172.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.4 t -114.84 5.99 15.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.564 HG12 ' CE1' ' A' ' 89' ' ' HIS . 87.0 t -126.48 -48.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.452 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.4 p -114.24 -1.89 13.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 58.03 39.65 26.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.579 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.2 tp10 -64.1 -176.52 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.4 p -127.91 125.68 40.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 8.2 m-85 -130.84 120.89 24.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -31.52 63.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -120.96 174.5 6.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 4.2 tpt180 -84.76 -54.44 4.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.425 ' HE3' ' CD2' ' A' ' 84' ' ' LEU . 3.1 tpt -44.33 -48.95 9.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -47.6 -48.17 28.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.566 HD12 ' CE1' ' A' ' 76' ' ' PHE . 18.7 tp -55.22 -42.97 74.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -58.6 -46.13 87.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.425 ' CD2' ' HE3' ' A' ' 80' ' ' MET . 6.7 mt -69.18 -13.29 62.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.406 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 30.9 t60 -90.25 -43.52 10.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.809 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -30.93 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.427 ' CG1' ' HG2' ' A' ' 93' ' ' MET . 7.0 m -50.43 -34.32 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.5 t -65.77 -29.05 69.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.564 ' CE1' HG12 ' A' ' 71' ' ' VAL . 69.7 m-70 -85.01 -54.65 4.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.9 t -69.22 -42.77 75.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 144.65 -59.08 0.51 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.32 164.81 10.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.912 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.502 ' SD ' ' CB ' ' A' ' 103' ' ' GLN . 20.8 mtp -74.38 153.66 87.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.557 0.694 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -49.25 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -84.02 153.28 23.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -154.9 155.26 33.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -88.93 -175.58 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.7 t -123.79 -45.41 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 m -69.77 -51.03 37.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.428 ' SG ' ' HG3' ' A' ' 102' ' ' GLN . 31.8 p -99.32 -21.77 15.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 6.7 m 74.93 27.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.528 ' OE1' ' CZ ' ' A' ' 104' ' ' PHE . 1.2 mt-30 -60.3 -173.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.555 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 27.5 mt-30 -140.0 152.63 46.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 9.3 m-85 -158.93 156.23 29.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.8 mtm -103.1 -20.22 14.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -117.83 144.72 45.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -56.34 -57.52 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 16.4 pttm -52.58 -37.09 57.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.473 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 36.1 t0 -56.11 -38.97 71.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 24.1 tp -83.17 -56.43 3.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -48.13 -49.86 30.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -63.25 -39.55 94.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.581 ' CE1' HD12 ' A' ' 117' ' ' LEU . 3.3 t60 -59.97 -40.7 89.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 118' ' ' HIS . 47.7 mtp -75.38 -28.8 59.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 19.1 mt -78.84 -27.67 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.165 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -90.73 -56.23 3.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.581 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.5 mt -76.69 -54.11 7.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 114' ' ' MET . 75.8 m-70 -90.66 35.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.8 t -50.4 -51.84 42.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -83.81 -163.01 34.59 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 135.8 31.43 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.5 t -173.34 125.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.6 t -153.01 154.39 34.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.186 -0.785 . . . . 0.0 112.501 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.1 t -139.19 120.84 15.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.945 0.402 . . . . 0.0 110.835 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -49.08 118.78 2.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.04 40.63 2.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -83.77 143.41 30.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 0.0 110.849 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 t -65.86 104.71 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.88 -169.83 13.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.6 m -86.57 -175.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -145.7 129.96 17.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 14' ' ' HIS . 42.4 t -79.83 112.93 33.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.654 0.74 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 3.01 3.01 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.447 HG22 ' CG ' ' A' ' 30' ' ' HIS . 6.1 m -98.55 -52.88 3.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.416 ' SG ' ' CB ' ' A' ' 15' ' ' LYS . 27.9 p -121.5 14.82 11.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 10' ' ' CYS . 56.0 m-70 54.19 25.0 5.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.427 ' HG2' ' CZ ' ' A' ' 17' ' ' PHE . 1.1 ttmp? -88.86 109.67 20.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -79.73 158.81 26.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.427 ' CZ ' ' HG2' ' A' ' 15' ' ' LYS . 73.7 m-85 -139.36 179.27 6.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 mp -68.04 -48.1 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.2 t -147.77 169.57 19.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' LEU . 2.7 mmmm -52.35 -49.0 65.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' LYS . 8.7 t80 -36.72 -43.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -70.8 -40.62 72.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.961 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 20' ' ' LYS . 65.9 tp -65.49 -52.51 52.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.417 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 3.2 ptpp? -59.88 -23.4 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.431 ' C ' ' HD3' ' A' ' 28' ' ' ARG . 69.5 t -93.11 -23.14 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -93.76 -19.94 20.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.498 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -56.25 -52.01 66.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.498 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -50.83 -41.71 57.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' ARG . 35.0 mmtt -36.62 -36.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.447 ' CG ' HG22 ' A' ' 12' ' ' THR . 87.8 m-70 -68.05 -62.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.1 p -47.66 164.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.17 74.7 2.49 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -104.8 3.46 31.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.386 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -142.7 148.09 44.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.61 0.719 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -49.38 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -140.48 176.17 9.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -166.79 138.36 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.464 ' N ' HD11 ' A' ' 51' ' ' LEU . 4.4 t -53.49 110.18 1.9 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 1.68 4.16 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.275 . . . . 0.0 112.37 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -100.4 -41.52 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.2 p -117.9 -42.25 2.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.56 40.45 1.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.68 123.27 42.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.727 0.299 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.544 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 26.3 p -66.64 158.93 28.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 44' ' ' CYS . 23.8 m-85 -163.98 110.74 1.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -44.86 -50.93 10.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -104.38 120.83 42.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -51.6 -48.69 63.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -40.28 -58.87 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -50.08 -56.99 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.527 HD12 ' CD2' ' A' ' 45' ' ' TYR . 35.6 tp -43.32 -59.07 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.2 mt -42.61 -43.63 3.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -63.47 -40.59 97.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -58.26 -52.85 63.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.817 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -39.52 -45.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.15 -47.08 13.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -54.46 -64.29 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -147.67 151.45 36.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.7 t -175.41 166.51 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.6 mtt -58.71 93.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -45.24 148.66 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.4 ttt85 -59.35 163.21 4.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.7 m -55.34 157.89 3.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 65' ' ' GLN . 15.0 mp0 -125.11 178.6 5.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 64' ' ' GLU . 16.0 tt0 -34.29 114.28 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.0 m -85.1 160.94 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -109.36 165.25 11.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 92.3 m -127.79 128.32 45.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.418 ' SG ' ' CE ' ' A' ' 86' ' ' MET . 6.5 t -58.33 170.28 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.2 t -113.27 6.91 17.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.43 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 60.1 t -125.24 -49.17 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.455 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.9 p -112.36 -6.13 14.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 63.23 35.85 12.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.565 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 3.2 tp10 -60.42 -178.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.8 p -125.47 126.64 45.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.592 ' CE1' HD13 ' A' ' 82' ' ' LEU . 9.7 m-85 -128.81 157.53 41.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -93.43 -30.48 15.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.408 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 23.3 mtt180 -127.04 163.58 23.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -67.74 -56.28 9.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.6 tpt -44.78 -50.06 10.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -44.28 -50.03 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.592 HD13 ' CE1' ' A' ' 76' ' ' PHE . 26.0 tp -59.25 -37.86 78.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -63.02 -40.15 96.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 mt -74.72 -14.19 60.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.404 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 21.4 t60 -91.94 -41.44 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.418 ' CE ' ' SG ' ' A' ' 69' ' ' CYS . 0.1 OUTLIER -51.35 -33.17 28.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.1 m -50.07 -33.81 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.2 p -65.26 -30.07 70.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.43 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 61.9 m-70 -82.02 -54.47 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.2 t -68.02 -47.85 67.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 148.23 -50.89 0.57 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -172.61 171.02 4.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.2 mtt -78.2 146.46 70.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -37.56 9.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.561 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 85.9 m-85 -107.1 154.85 20.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -156.62 147.71 22.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.5 t -81.17 -175.52 5.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.4 t -123.98 -47.4 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -67.1 -50.12 62.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.438 ' SG ' ' HG3' ' A' ' 102' ' ' GLN . 31.3 p -99.05 -24.15 15.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m 74.54 30.54 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.438 ' HG3' ' SG ' ' A' ' 100' ' ' CYS . 1.8 mt-30 -65.75 -175.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.615 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 31.5 mt-30 -139.72 149.51 43.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.615 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.0 m-85 -148.86 161.1 42.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.7 mmt -96.0 -27.62 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -117.17 159.52 22.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.561 ' HG3' ' CE1' ' A' ' 95' ' ' TYR . 6.5 ttpp -71.26 -59.45 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -35.47 22.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -57.62 -38.04 74.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.4 tp -77.63 -52.04 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -47.18 -49.94 21.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.454 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 1.4 t -63.53 -41.12 98.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.572 ' CE1' HD11 ' A' ' 117' ' ' LEU . 3.1 t60 -59.16 -39.42 82.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 118' ' ' HIS . 47.9 mtp -76.65 -30.71 56.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 19.1 mt -77.49 -28.56 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.454 ' CD ' ' O ' ' A' ' 112' ' ' SER . 1.1 mptm? -87.21 -57.57 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.572 HD11 ' CE1' ' A' ' 113' ' ' HIS . 4.8 mt -76.52 -55.56 5.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' MET . 69.2 m-70 -89.16 34.24 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.0 t -40.24 -60.01 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -127.13 177.58 17.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 144.44 54.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 93.3 p -150.33 120.19 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 124' ' ' GLY . 26.3 m -98.18 42.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 123' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.1 p -149.19 177.37 9.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.343 . . . . 0.0 110.905 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -164.05 135.91 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.08 -163.86 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t -64.15 86.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.812 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -137.79 167.44 21.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.1 -169.37 42.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.6 m -77.11 -177.47 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -143.77 134.2 24.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 14' ' ' HIS . 43.9 t -83.14 114.51 53.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.647 0.736 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 5.05 1.84 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.427 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 4.2 m -99.66 -52.84 3.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.4 p -122.94 13.46 9.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 10' ' ' CYS . 72.1 m-70 57.41 24.96 10.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.415 ' HG2' ' CZ ' ' A' ' 17' ' ' PHE . 25.2 ttmt -88.71 113.62 24.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -82.55 162.54 21.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.433 ' CZ ' ' CG ' ' A' ' 26' ' ' HIS . 88.3 m-85 -143.82 175.57 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.3 mt -70.53 -57.31 4.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.9 t -129.33 163.45 25.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -58.23 -31.49 67.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -52.1 -38.7 58.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -79.22 -29.75 42.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.96 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.3 tp -70.71 -47.93 57.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -61.13 -39.59 90.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.7 t -73.23 -41.41 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.433 ' CG ' ' CZ ' ' A' ' 17' ' ' PHE . 4.2 t60 -67.18 -41.93 85.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -55.75 -46.84 77.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -41.31 -44.36 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -49.23 -49.96 40.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.427 ' NE2' ' HB ' ' A' ' 12' ' ' THR . 33.4 m-70 -46.54 -58.67 3.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.8 t -84.34 161.92 20.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.87 -172.34 0.62 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 pm0 -79.03 164.78 24.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.886 0.374 . . . . 0.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -133.41 93.68 21.34 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.697 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -46.91 1.07 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.69 2.26 . . . . 0.0 112.378 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -120.91 167.59 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 44' ' ' CYS . 40.4 tt0 -165.6 150.52 8.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.1 t -68.9 113.36 15.67 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.717 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.22 4.66 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -101.03 -45.68 5.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.8 p -113.38 -39.59 4.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.54 38.94 2.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.511 ' HD3' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -99.01 100.25 11.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.732 0.301 . . . . 0.0 110.925 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.534 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 25.9 p -44.63 167.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.534 ' CG ' ' O ' ' A' ' 44' ' ' CYS . 9.7 m-85 -175.25 111.04 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.99 -41.22 97.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -85.84 112.49 21.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -49.55 -56.54 9.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -47.37 -57.21 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -46.5 -48.6 19.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.9 tp -55.36 -53.37 57.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 74.0 mt -54.59 -42.19 70.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 56' ' ' ALA . 19.2 mt-10 -61.41 -64.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 53' ' ' GLU . 1.2 t60 -35.58 -46.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.19 -45.52 53.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' GLU . . . -83.3 -49.42 9.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.055 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -64.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -163.0 131.31 3.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 60' ' ' MET . 4.7 t -111.51 102.15 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.46 ' C ' ' O ' ' A' ' 59' ' ' CYS . 7.3 ptm -33.73 143.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -119.3 85.7 2.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.485 ' N ' ' HD2' ' A' ' 62' ' ' ARG . 0.2 OUTLIER -107.53 -173.66 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.8 m 62.66 47.2 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 65' ' ' GLN . 11.8 pt-20 -61.05 -175.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 64' ' ' GLU . 8.0 tt0 -34.97 112.95 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.3 m -80.4 162.75 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -108.63 168.13 9.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.0 m -132.03 124.98 30.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 7.3 t -56.17 169.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.9 t -112.9 5.7 17.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.513 ' CG1' ' CE1' ' A' ' 89' ' ' HIS . 98.4 t -123.29 -48.88 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.8 p -112.91 -6.24 13.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 63.47 35.63 11.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.582 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.8 tp10 -59.6 -178.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.3 p -126.89 127.54 45.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.592 ' CE1' HD13 ' A' ' 82' ' ' LEU . 9.4 m-85 -130.21 158.16 40.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -91.16 -32.3 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.427 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 69.6 mtt180 -127.61 160.25 32.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -62.36 -61.35 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.5 tpt -38.86 -50.8 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -43.63 -50.13 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.592 HD13 ' CE1' ' A' ' 76' ' ' PHE . 21.3 tp -55.28 -42.81 74.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -58.6 -51.76 68.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.6 mt -60.61 -19.17 57.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -89.62 -42.08 11.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -50.79 -34.11 26.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.4 m -48.93 -33.27 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 m -66.34 -29.65 69.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.513 ' CE1' ' CG1' ' A' ' 71' ' ' VAL . 68.1 m-70 -83.3 -54.37 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 t -67.2 -40.59 86.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.78 -65.51 0.52 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -155.82 163.4 39.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.424 ' CG ' ' HB3' ' A' ' 103' ' ' GLN . 3.3 mtt -71.84 151.99 93.18 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.56 0.695 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -40.05 5.85 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.649 2.233 . . . . 0.0 112.343 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 87.0 m-85 -108.98 150.39 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.406 ' NZ ' ' HB2' ' A' ' 96' ' ' LYS . 1.2 mtmp? -153.21 147.82 26.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.61 -178.24 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 t -118.42 -46.46 2.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.1 t -68.82 -54.38 16.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.407 ' SG ' ' HG3' ' A' ' 102' ' ' GLN . 32.0 p -94.11 -21.39 19.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.5 m 69.89 27.88 4.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.407 ' HG3' ' SG ' ' A' ' 100' ' ' CYS . 4.3 mt-30 -63.27 -175.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.517 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 34.9 mt-30 -136.81 152.04 49.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 5.4 m-85 -149.66 160.22 43.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.8 mmt -97.35 -26.36 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -122.61 151.84 41.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 20.3 tttp -64.74 -49.04 72.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -58.02 -27.19 63.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.28 -32.44 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.488 HD11 ' CE1' ' A' ' 104' ' ' PHE . 16.5 tp -80.49 -48.82 12.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -51.38 -52.3 47.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.408 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 2.9 t -61.53 -36.56 80.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.573 ' CE1' HD11 ' A' ' 117' ' ' LEU . 2.7 t60 -63.25 -39.91 95.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 118' ' ' HIS . 38.4 mtp -75.86 -26.6 57.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.9 mt -80.64 -27.43 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 112' ' ' SER . 5.5 mptt -90.24 -59.29 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.573 HD11 ' CE1' ' A' ' 113' ' ' HIS . 7.2 mt -73.42 -52.58 13.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' MET . 84.2 m-70 -94.51 38.43 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.7 t -55.66 -51.02 68.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 81.57 169.39 42.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.1 69.3 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.242 . . . . 0.0 112.349 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 96.0 p -102.49 115.56 30.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 73.0 m -147.02 117.63 7.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.819 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.516 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -114.89 116.65 28.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 p -118.53 174.29 6.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.58 100.78 0.15 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -93.74 43.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 110.851 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 p -70.88 173.7 7.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.08 169.52 26.63 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.6 m -66.81 167.74 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -135.92 136.9 40.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.0 t -85.8 115.55 62.12 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 4.8 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.364 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.421 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 3.1 m -100.06 -54.57 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.101 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.2 p -119.68 12.97 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 54.84 28.21 10.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.475 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 10.2 ttmm -90.05 110.7 21.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -85.46 158.88 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.475 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 56.0 m-85 -138.2 -179.58 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mp -73.56 -52.34 13.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.52 173.99 11.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -59.38 -47.63 84.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -38.07 -53.77 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -59.38 -50.84 72.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.6 tp -53.51 -41.4 66.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -62.72 -51.01 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.4 -34.91 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.484 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 4.3 t60 -73.36 -63.54 1.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.484 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -38.2 -50.42 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.471 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 28.0 mtt180 -37.27 -42.49 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -53.79 -45.17 70.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' ASN . 17.9 m-70 -51.78 -40.98 61.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.5 p -82.04 142.47 32.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.07 44.05 2.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -130.38 4.38 4.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -122.71 100.24 41.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.612 0.72 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -35.42 12.71 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.656 2.237 . . . . 0.0 112.333 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CE2' ' HE3' ' A' ' 48' ' ' LYS . 84.5 m-85 -136.38 153.23 51.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.411 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 49.4 tt0 -158.49 128.83 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.467 ' N ' HD11 ' A' ' 51' ' ' LEU . 4.3 t -47.8 110.92 1.5 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.605 0.716 . . . . 0.0 110.833 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 0.54 5.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.391 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -97.96 -42.08 7.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 60' ' ' MET . 19.9 p -117.75 -47.0 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.64 36.01 0.94 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.411 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 13.8 tptm -93.72 114.86 27.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.2 p -68.58 149.43 49.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -155.04 119.4 4.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -51.01 -55.43 17.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -97.64 134.25 41.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.553 ' HE3' ' CE2' ' A' ' 36' ' ' PHE . 14.3 ttmt -59.52 -46.07 89.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -39.58 -60.67 0.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -50.88 -55.16 18.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.467 HD11 ' N ' ' A' ' 38' ' ' CYS . 23.5 tp -47.1 -58.9 3.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.7 mt -48.91 -42.71 37.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.13 -48.14 83.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.497 ' CE1' ' HA ' ' A' ' 59' ' ' CYS . 2.3 t60 -54.02 -38.71 65.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -55.47 -63.46 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.23 -49.24 70.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -53.49 -63.32 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -168.86 130.03 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.497 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 8.9 t -110.35 144.74 38.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.471 ' HB3' ' CB ' ' A' ' 41' ' ' CYS . 18.6 tmm? -41.29 133.15 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -93.36 118.88 31.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -79.33 44.96 0.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.3 p -108.24 89.22 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -163.58 149.85 11.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -112.65 93.88 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.9 m -74.45 166.7 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 10.4 m-85 -112.66 151.28 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 96.0 m -115.11 127.93 55.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.415 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 5.8 t -56.86 171.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.0 t -112.43 5.96 18.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.449 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 90.9 t -126.43 -48.7 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.467 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 27.2 p -113.78 -2.41 13.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.415 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 36.9 mm-40 60.08 35.01 21.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -58.79 -175.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.1 p -127.19 127.47 44.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 8.4 m-85 -133.6 118.47 18.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -51.69 -33.9 36.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.415 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 14.8 mtp180 -124.59 169.55 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.561 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 12.3 tpt180 -75.42 -59.78 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' ARG . 2.9 tpt -37.3 -49.12 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -48.37 -48.69 36.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 76' ' ' PHE . 25.6 tp -56.43 -38.49 71.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -62.41 -44.67 95.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.06 -13.84 62.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -90.73 -41.99 10.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.11 -32.39 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.42 HG11 ' CE ' ' A' ' 105' ' ' MET . 10.4 m -48.24 -35.35 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.091 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.7 m -65.79 -29.5 70.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.449 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 64.6 m-70 -83.92 -55.16 4.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.412 HG23 ' N ' ' A' ' 91' ' ' GLY . 7.8 t -65.77 -43.66 88.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.412 ' N ' HG23 ' A' ' 90' ' ' THR . . . 138.03 -47.02 0.96 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.468 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.22 153.28 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.369 . . . . 0.0 110.854 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 7.5 mtp -51.73 152.98 4.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -34.89 13.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.384 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -103.03 144.34 31.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -150.41 149.04 29.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -81.79 -174.44 5.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.9 p -122.97 -46.01 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.454 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.8 t -70.25 -48.24 57.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.868 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.511 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 19.8 p -102.62 -17.55 15.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.848 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.4 m 66.42 35.35 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.511 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.4 mm-40 -64.97 -174.75 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -140.79 140.46 34.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.537 ' CE1' HD13 ' A' ' 110' ' ' LEU . 6.2 m-85 -144.93 157.29 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.42 ' CE ' HG11 ' A' ' 87' ' ' VAL . 11.0 mmt -94.27 -26.58 16.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -116.74 154.35 30.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -67.29 -51.01 57.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 9.2 ptpp? -55.51 -39.91 71.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 6.9 t0 -55.44 -36.65 66.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.537 HD13 ' CE1' ' A' ' 104' ' ' PHE . 19.2 tp -80.71 -49.34 11.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -49.75 -52.02 34.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.7 t -62.75 -41.67 99.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.593 ' CE1' HD11 ' A' ' 117' ' ' LEU . 5.7 t60 -57.67 -37.72 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.464 ' O ' ' C ' ' A' ' 118' ' ' HIS . 38.6 mtp -80.6 -26.04 38.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.5 mt -80.19 -29.22 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.63 -59.09 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.593 HD11 ' CE1' ' A' ' 113' ' ' HIS . 4.7 mt -76.69 -54.63 6.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.464 ' C ' ' O ' ' A' ' 114' ' ' MET . 92.4 m-70 -88.08 32.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 118' ' ' HIS . 97.7 p -35.7 -48.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 130.58 142.65 5.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -176.87 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.7 m -112.63 -54.6 2.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 21.4 t -74.72 -50.87 15.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.475 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 m -137.8 110.89 7.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.834 0.349 . . . . 0.0 110.804 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.7 m -108.23 151.83 25.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.87 -154.82 22.13 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m 53.9 41.12 32.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.847 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -139.39 166.64 24.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.61 -172.6 32.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.441 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.9 m -93.46 169.02 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 0.0 111.095 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -139.81 131.93 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.2 t -78.7 114.85 47.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.649 0.738 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 5.05 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.739 2.292 . . . . 0.0 112.351 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.491 HG23 ' CE1' ' A' ' 30' ' ' HIS . 4.7 m -100.43 -54.42 2.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.3 p -121.81 17.1 11.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 52.97 25.83 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 32.1 tttt -85.25 106.86 16.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -79.68 160.6 26.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.44 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 63.5 m-85 -139.91 -178.2 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.583 HD23 ' CD2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -85.43 -39.85 17.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -135.77 174.26 10.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.43 -48.78 38.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -39.49 -43.58 1.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.583 ' CD2' HD23 ' A' ' 18' ' ' LEU . 8.3 m-85 -69.22 -39.61 78.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' LYS . 27.3 tp -62.51 -54.17 43.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 18.3 ptmt -56.33 -43.63 79.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.436 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 80.1 t -66.7 -39.79 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -67.15 -49.73 63.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -42.98 -42.43 3.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.7 mtp85 -44.69 -46.34 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.62 -45.87 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.491 ' CE1' HG23 ' A' ' 12' ' ' THR . 34.5 m-70 -56.98 -62.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.6 t -94.63 114.52 26.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.97 -61.42 0.53 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -48.99 161.87 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.489 ' HD3' ' N ' ' A' ' 46' ' ' PHE . 53.6 mttm -145.43 143.38 19.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.585 0.707 . . . . 0.0 110.893 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.574 ' HG2' ' CD2' ' A' ' 36' ' ' PHE . 53.5 Cg_endo -69.77 4.62 2.09 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.665 2.243 . . . . 0.0 112.363 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.574 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 53.6 m-85 -141.56 133.1 26.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 44' ' ' CYS . 35.7 tt0 -160.93 134.89 6.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.9 t -54.07 113.12 4.57 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.617 0.723 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -3.08 11.27 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.52 -41.55 10.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.937 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.7 p -119.66 -47.7 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.04 26.37 2.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -83.05 105.87 14.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.471 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 6.1 p -69.07 151.7 46.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.415 ' C ' ' HD3' ' A' ' 34' ' ' LYS . 12.5 m-85 -154.4 129.81 9.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.489 ' N ' ' HD3' ' A' ' 34' ' ' LYS . 8.0 t80 -53.24 -54.15 40.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.25 145.86 27.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -67.07 -42.36 84.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -42.93 -66.1 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -46.93 -48.48 21.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.4 tp -55.79 -50.01 71.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.2 mt -51.44 -45.94 62.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 54' ' ' HIS . 43.0 mt-10 -58.2 -65.44 0.65 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 55' ' ' GLU . 2.5 t60 -35.45 -57.48 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' HIS . 5.1 mm-40 -34.37 -44.22 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.15 -41.3 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -54.22 -61.07 2.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -159.12 152.31 22.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.6 t -167.34 121.22 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.8 ptm -39.49 159.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -105.48 126.97 52.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -69.74 172.28 7.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.6 p 49.64 40.95 20.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 66' ' ' VAL . 12.3 pt-20 -86.78 -173.01 4.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -45.86 116.67 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 64' ' ' GLU . 6.8 m -117.83 164.17 14.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 12.1 m-85 -110.5 155.41 22.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 85.0 m -121.42 127.14 50.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.134 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.4 t -58.61 170.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.2 t -112.91 2.99 16.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.431 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 62.0 t -121.49 -48.45 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.4 p -113.22 -4.26 13.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 60.5 36.94 19.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.561 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 3.2 tp10 -59.25 -178.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.1 p -128.22 123.38 34.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.185 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 11.5 m-85 -125.97 161.44 27.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.441 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -95.9 -31.97 12.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.441 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 38.6 mtt-85 -123.49 158.68 30.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 6.6 ttp-105 -65.74 -62.26 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.1 tpt -38.86 -47.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -46.63 -50.62 17.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.553 HD12 ' CE1' ' A' ' 76' ' ' PHE . 29.1 tp -55.77 -37.88 69.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -62.4 -43.15 99.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.1 mt -72.25 -13.34 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -90.92 -43.38 10.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -53.19 -34.75 58.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.403 HG11 ' CE ' ' A' ' 105' ' ' MET . 4.2 m -50.33 -32.52 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.9 p -70.12 -28.12 65.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.431 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 29.5 m-70 -79.68 -47.17 15.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.4 t -76.58 -35.8 57.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 130.8 -56.83 0.74 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -157.48 144.89 18.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.332 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.406 ' SD ' ' HB3' ' A' ' 103' ' ' GLN . 4.9 mtt -42.19 155.46 0.25 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.586 0.708 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -32.0 19.11 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 88.9 m-85 -117.81 149.12 41.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.97 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -153.99 149.0 26.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.08 -175.47 5.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.9 p -120.49 -47.56 2.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.49 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.6 t -67.66 -52.67 35.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 30.6 p -94.96 -26.05 16.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t 74.97 26.45 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -62.34 -175.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.539 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 35.2 mt-30 -137.11 152.23 49.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.539 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 8.0 m-85 -151.4 155.71 39.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.403 ' CE ' HG11 ' A' ' 87' ' ' VAL . 6.2 mmt -92.87 -26.14 17.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -114.86 165.46 12.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 20.3 ttmt -81.9 -47.52 12.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -32.4 70.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -62.04 -37.69 85.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.2 tp -75.76 -52.23 10.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -48.69 -50.5 33.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.444 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 2.2 t -65.01 -35.7 82.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.834 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.578 ' CE1' HD12 ' A' ' 117' ' ' LEU . 3.0 t60 -62.8 -39.2 93.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 118' ' ' HIS . 44.7 mtp -77.2 -28.79 53.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 16.9 mt -78.96 -23.36 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.444 ' CD ' ' O ' ' A' ' 112' ' ' SER . 2.4 mptp? -95.97 -56.74 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.578 HD12 ' CE1' ' A' ' 113' ' ' HIS . 6.3 mt -75.66 -45.15 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.49 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 96.3 m-70 -102.42 45.67 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.7 t -75.88 48.61 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.93 -179.31 32.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 132.34 23.09 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.633 2.222 . . . . 0.0 112.332 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.2 m -142.32 135.93 29.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.2 t -123.78 111.43 16.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.488 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -174.45 131.04 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.6 m -61.19 121.44 12.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.77 -145.42 4.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -95.39 81.7 3.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.87 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 m -131.67 173.6 10.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.95 -165.14 14.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 m -99.21 168.6 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -137.25 145.75 43.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.427 ' C ' ' H ' ' A' ' 12' ' ' THR . 37.4 t -94.28 116.43 66.41 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.63 0.729 . . . . 0.0 110.84 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 8.67 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.334 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.528 HG21 ' CE1' ' A' ' 30' ' ' HIS . 3.8 m -104.42 -55.56 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.9 p -118.93 15.35 13.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 50.25 34.79 9.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -95.59 112.15 23.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -82.91 155.72 23.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -133.63 172.37 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.563 HD21 ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -80.56 -39.42 27.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.4 p -135.73 159.8 40.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 21' ' ' TYR . 3.0 mppt? -57.25 -57.19 13.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.468 ' C ' ' O ' ' A' ' 20' ' ' LYS . 32.2 t80 -32.44 -62.53 0.23 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.563 ' CD2' HD21 ' A' ' 18' ' ' LEU . 7.3 m-85 -47.68 -53.02 16.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.9 tp -48.4 -50.44 30.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.53 -65.7 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.2 t -45.5 -29.92 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -77.01 -55.19 5.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.52 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -44.64 -52.89 7.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.52 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 61.6 mtt180 -36.5 -41.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -55.28 -46.68 76.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.528 ' CE1' HG21 ' A' ' 12' ' ' THR . 9.6 m-70 -51.36 -64.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.0 p -47.28 -44.37 23.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.69 -130.92 35.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -108.94 146.54 33.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.487 ' CB ' ' HB3' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -126.03 81.34 66.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.568 0.699 . . . . 0.0 110.928 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.448 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 53.5 Cg_endo -69.76 4.9 1.92 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 35' ' ' PRO . 19.6 m-85 -143.58 150.79 39.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.416 ' OE2' ' O ' ' A' ' 42' ' ' GLY . 61.1 tt0 -154.77 127.32 7.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.464 ' N ' HD11 ' A' ' 51' ' ' LEU . 3.8 t -42.21 110.32 0.81 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.636 0.731 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 0.35 5.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.28 . . . . 0.0 112.326 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -98.15 -46.12 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.4 p -112.17 -45.07 3.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.416 ' O ' ' OE2' ' A' ' 37' ' ' GLU . . . 111.14 42.96 1.04 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.566 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 6.0 tmtt? -100.98 109.83 21.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.731 0.301 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.487 ' HB3' ' CB ' ' A' ' 34' ' ' LYS . 75.5 m -61.05 153.91 24.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.566 ' CE2' ' HD2' ' A' ' 43' ' ' LYS . 16.8 m-85 -153.11 139.9 19.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -50.42 -58.26 6.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -116.24 164.59 14.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -71.38 -52.44 18.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -38.81 -54.39 1.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -54.93 -50.65 68.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.464 HD11 ' N ' ' A' ' 38' ' ' CYS . 24.9 tp -48.76 -51.15 30.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.8 mt -50.47 -44.32 55.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -55.55 -38.25 69.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 54' ' ' HIS . 1.5 t60 -69.15 -52.07 31.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -43.49 -42.97 5.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.74 -48.17 9.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -56.39 -63.58 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.419 ' O ' ' CE1' ' A' ' 54' ' ' HIS . 0.3 OUTLIER -159.57 139.01 11.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.402 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 5.7 t -128.3 -61.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 24.2 mmm -128.14 41.78 3.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -110.1 91.03 3.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -172.57 130.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.4 t -125.59 44.14 2.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -113.89 88.92 2.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -50.13 105.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.6 m -78.23 158.67 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -111.61 161.09 16.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.3 m -126.28 129.51 49.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.136 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.472 ' SG ' ' CE ' ' A' ' 86' ' ' MET . 7.4 t -61.73 169.64 2.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.7 t -111.46 -1.05 16.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.442 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 95.0 t -115.43 -50.21 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.5 p -111.85 -6.34 14.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 63.73 32.82 13.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.586 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.4 tp10 -56.35 -179.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.6 p -126.34 127.0 44.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.598 ' CE1' HD12 ' A' ' 82' ' ' LEU . 6.4 m-85 -128.47 178.94 5.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.26 -31.42 4.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -122.76 150.86 42.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -57.97 -56.54 20.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.6 tpt -46.04 -53.31 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -40.92 -53.21 2.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.598 HD12 ' CE1' ' A' ' 76' ' ' PHE . 24.7 tp -55.88 -39.7 71.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -62.01 -40.12 94.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.2 mt -73.41 -14.69 61.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.406 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 21.8 t60 -91.64 -42.9 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.472 ' CE ' ' SG ' ' A' ' 69' ' ' CYS . 0.1 OUTLIER -50.23 -36.79 32.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.409 HG21 ' N ' ' A' ' 88' ' ' SER . 3.3 m -49.04 -35.53 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.177 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.409 ' N ' HG21 ' A' ' 87' ' ' VAL . 23.2 t -62.26 -31.13 71.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.442 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 57.9 m-70 -77.58 -32.58 53.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.6 t -107.28 24.15 13.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.08 -61.68 4.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.85 173.72 12.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.434 ' CG ' ' HB3' ' A' ' 103' ' ' GLN . 3.8 mtt -61.05 153.64 65.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 110.874 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -34.87 13.53 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.693 2.262 . . . . 0.0 112.302 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 77.7 m-85 -112.8 148.97 33.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -152.87 145.67 24.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -79.44 -175.84 4.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.2 t -123.19 -44.31 2.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.514 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.4 t -70.44 -47.26 61.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.505 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 20.7 p -103.67 -18.07 14.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.0 m 66.81 36.91 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.505 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.8 mm-40 -68.43 -174.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.434 ' HB3' ' CG ' ' A' ' 93' ' ' MET . 30.4 mt-30 -142.11 140.62 32.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 5.3 m-85 -142.72 161.63 37.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.9 mmt -95.94 -27.76 15.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -117.06 154.66 30.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 80.9 tttt -67.95 -51.27 49.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.8 -38.78 67.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -55.77 -38.44 69.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.4 HD13 ' CE1' ' A' ' 104' ' ' PHE . 23.3 tp -75.68 -52.27 10.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -48.2 -50.16 30.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -63.31 -40.41 97.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.599 ' CE1' HD11 ' A' ' 117' ' ' LEU . 4.7 t60 -59.72 -40.14 87.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.457 ' O ' ' C ' ' A' ' 118' ' ' HIS . 40.0 mtp -77.66 -28.93 51.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 21.0 mt -77.89 -28.14 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -88.08 -58.1 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.599 HD11 ' CE1' ' A' ' 113' ' ' HIS . 5.6 mt -78.05 -54.66 6.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.514 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 95.1 m-70 -87.28 35.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.2 t -59.42 -47.23 86.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.529 ' C ' ' H ' ' A' ' 122' ' ' SER . . . -45.31 163.77 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.523 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.529 ' O ' ' C ' ' A' ' 122' ' ' SER . 54.0 Cg_endo -69.69 24.74 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.529 ' H ' ' C ' ' A' ' 120' ' ' GLY . 68.8 p -26.52 104.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 71.5 p -47.7 132.51 14.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.121 -0.821 . . . . 0.0 112.498 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.721 HG11 ' HD3' ' A' ' 20' ' ' LYS . 35.8 m -73.71 -175.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.154 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -153.5 140.37 19.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.404 ' C ' ' H ' ' A' ' 12' ' ' THR . 8.2 t -81.44 117.1 66.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.636 0.731 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 9.87 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.404 ' H ' ' C ' ' A' ' 10' ' ' CYS . 79.9 m -114.09 -59.46 2.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.5 p -100.62 -12.98 18.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 72.6 m-70 69.47 44.07 0.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -107.97 110.1 21.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -74.09 152.2 39.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -133.35 178.77 6.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.691 HD21 ' HE2' ' A' ' 22' ' ' TYR . 1.9 pp -80.59 -36.4 32.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.449 ' HB2' HD12 ' A' ' 18' ' ' LEU . 41.1 t -144.32 144.57 31.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.721 ' HD3' HG11 ' A' ' 8' ' ' VAL . 7.6 tppt? -48.17 -46.15 34.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' LYS . 15.9 t80 -36.6 -59.82 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.691 ' HE2' HD21 ' A' ' 18' ' ' LEU . 25.3 m-85 -59.0 -46.1 89.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.948 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.705 HD22 ' CG2' ' A' ' 8' ' ' VAL . 38.7 tp -52.39 -50.52 62.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -55.83 -64.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.1 t -49.17 -31.54 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -69.93 -43.81 70.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.44 ' C ' ' ND2' ' A' ' 27' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.44 ' HB3' HD22 ' A' ' 51' ' ' LEU . 89.3 m-85 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.871 0.367 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.454 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 34.4 tt0 -164.48 130.61 2.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.593 ' HA ' HD11 ' A' ' 51' ' ' LEU . 6.9 t -44.92 112.05 1.41 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.674 0.75 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -2.37 10.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -95.78 -45.84 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.3 p -111.91 -46.01 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.14 37.32 1.25 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.455 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 2.9 tmtt? -95.7 111.78 23.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 29.7 p -66.17 133.66 51.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.466 ' CD2' ' HA ' ' A' ' 51' ' ' LEU . 5.2 m-85 -134.9 100.87 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' TYR . 9.5 t80 -37.09 -53.45 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -93.03 133.32 36.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -58.55 -51.93 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.429 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 30.6 mp0 -42.63 -50.99 5.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -56.34 -45.54 80.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.593 HD11 ' HA ' ' A' ' 38' ' ' CYS . 17.5 tp -54.69 -54.32 43.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.982 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 55' ' ' GLU . 73.2 mt -51.65 -56.1 15.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 54' ' ' HIS . 60.5 mt-10 -48.04 -66.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 55' ' ' GLU . 1.2 t-80 -34.86 -61.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 54' ' ' HIS . 2.8 mm-40 -34.51 -44.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.04 -47.38 10.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -53.7 -60.94 2.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.0 m120 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.916 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.521 HG12 ' HA ' ' A' ' 77' ' ' ARG . 30.6 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.884 0.373 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 50.3 m-85 -120.73 150.51 40.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.9 m -117.74 130.93 56.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.419 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 3.7 t -57.77 177.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.8 t -119.04 0.64 11.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.442 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 60.9 t -121.29 -47.24 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.4 p -113.38 -3.15 13.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 59.42 38.69 22.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.596 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.4 tp10 -62.5 -173.55 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.2 p -131.35 128.21 39.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.596 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 12.8 m-85 -137.64 116.5 12.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.521 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -63.85 -13.04 41.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.434 ' HG3' ' CD ' ' A' ' 77' ' ' ARG . 51.1 mtp85 -123.66 160.73 26.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 8.6 tpt180 -81.16 -51.31 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.418 ' HE2' ' HB2' ' A' ' 83' ' ' ARG . 3.7 tpt -51.43 -47.18 63.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.405 ' HG2' ' HB2' ' A' ' 78' ' ' ARG . 58.5 mm-40 -44.75 -55.36 5.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.451 HD13 ' CE1' ' A' ' 76' ' ' PHE . 46.2 tp -50.39 -44.28 54.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.418 ' HB2' ' HE2' ' A' ' 80' ' ' MET . 8.9 mmm180 -58.68 -42.91 89.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.3 mt -74.63 -13.56 60.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -90.81 -41.96 10.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.483 ' HA ' ' HE3' ' A' ' 86' ' ' MET . 0.0 OUTLIER -50.83 -35.91 34.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 m -50.63 -36.48 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.0 m -60.44 -30.59 69.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.442 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 70.1 m-70 -78.57 -36.9 43.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.4 t -106.91 28.53 7.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.935 0.397 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -147.28 155.89 42.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.2 t -86.72 -176.12 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.4 m -124.49 -43.27 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -70.06 -48.5 57.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.5 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 22.3 p -104.2 -21.92 13.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t 74.92 30.69 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.5 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.8 mm100 -63.8 -174.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.482 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 35.6 mt-30 -138.57 143.69 39.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 6.5 m-85 -146.75 163.03 37.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.0 mmt -98.89 -25.97 14.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -116.87 153.31 32.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -68.57 -49.71 57.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -57.06 -38.81 73.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.84 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -56.98 -36.34 70.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.5 tp -76.73 -53.29 8.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -48.97 -50.75 34.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.8 t -61.65 -40.68 95.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.729 ' CE1' HD12 ' A' ' 117' ' ' LEU . 5.5 t60 -59.97 -35.1 74.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.403 ' O ' ' HB2' ' A' ' 118' ' ' HIS . 31.3 mtp -85.1 -15.68 43.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 115' ' ' ILE . 27.9 mt -93.31 -12.85 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.444 ' HD2' ' C ' ' A' ' 115' ' ' ILE . 0.3 OUTLIER -114.23 -57.61 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.729 HD12 ' CE1' ' A' ' 113' ' ' HIS . 6.0 mt -67.26 -46.1 74.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.403 ' HB2' ' O ' ' A' ' 114' ' ' MET . 35.4 m80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.618 HG21 ' HB2' ' A' ' 23' ' ' LEU . 29.7 m -81.18 172.66 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 0.0 111.155 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -145.53 136.8 24.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' HIS . 43.4 t -85.32 114.72 57.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.586 0.708 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 4.48 2.17 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -101.17 -51.75 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 26.6 p -118.75 6.49 11.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 10' ' ' CYS . 67.6 m-70 60.14 25.33 14.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.567 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 58.9 tttt -86.42 113.16 22.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -90.1 158.26 17.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.567 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 30.3 m-85 -137.79 -177.87 5.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.7 mt -67.99 -50.67 54.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.3 t -137.7 -176.51 4.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -69.4 -37.81 77.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -51.44 -56.31 13.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -53.77 -40.81 66.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.618 ' HB2' HG21 ' A' ' 8' ' ' VAL . 20.9 tp -57.76 -59.57 5.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -41.99 -61.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.3 t -49.25 -35.55 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 27' ' ' ASN . 4.0 t60 -72.48 -59.3 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 26' ' ' HIS . 2.1 t30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 66.1 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.864 0.364 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 44' ' ' CYS . 39.4 tt0 -172.45 130.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.458 ' CA ' HD11 ' A' ' 51' ' ' LEU . 5.7 t -52.24 112.73 3.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 53.5 Cg_endo -69.74 1.56 4.31 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.698 2.266 . . . . 0.0 112.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -100.07 -43.52 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.0 p -115.8 -37.49 3.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 108.53 27.43 4.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.5 109.28 17.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 75.9 m -64.13 135.06 56.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.419 ' CB ' ' HB2' ' A' ' 51' ' ' LEU . 2.9 m-85 -134.94 146.64 49.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -64.98 -56.98 9.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -110.85 146.77 35.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.47 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 62.2 tttt -64.43 -39.16 93.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -47.57 -66.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -52.29 -48.27 65.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.458 HD11 ' CA ' ' A' ' 38' ' ' CYS . 34.0 tp -52.03 -46.62 65.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.5 mt -57.06 -39.89 75.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -61.12 -41.09 96.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -63.96 -36.97 85.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -56.9 -51.5 68.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.62 -49.09 17.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -53.72 -68.39 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.9 0.381 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 20.8 m-85 -119.74 155.16 33.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.3 m -116.2 125.13 51.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.436 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.6 t -50.88 172.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.8 p -113.41 10.1 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.442 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 48.4 t -133.36 -45.56 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.2 p -116.15 -0.7 12.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.418 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 38.7 mm-40 58.96 33.92 23.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 1.3 tp10 -55.6 -173.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.0 p -128.76 124.97 36.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.172 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 74' ' ' GLU . 9.6 m-85 -133.12 119.16 19.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -53.45 -32.87 51.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.439 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 86.1 mtt180 -124.78 162.23 24.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 27.2 tpt180 -68.88 -61.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 79' ' ' ARG . 3.3 tpt -36.15 -47.01 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -50.68 -47.94 58.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.498 HD13 ' CE1' ' A' ' 76' ' ' PHE . 16.1 tp -56.49 -35.76 68.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -66.63 -43.89 83.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 mt -70.57 -13.28 62.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -93.37 -39.67 10.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.616 ' HE2' ' HA ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -52.74 -32.25 42.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.7 m -51.36 -30.78 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.8 m -68.46 -27.8 66.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.442 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 65.8 m-70 -83.6 -52.37 6.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -72.33 -40.43 67.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.478 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 82.7 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.995 0.426 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -155.88 151.77 27.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -82.45 -174.71 5.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.8 t -123.44 -44.22 2.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 t -73.4 -51.58 16.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.513 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.5 p -96.93 -13.25 22.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.2 p 62.73 30.76 16.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.513 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.2 mm100 -64.73 -174.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.643 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 26.3 mt-30 -141.06 150.57 43.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.643 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.3 m-85 -150.35 162.13 41.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.2 mmt -95.76 -27.75 15.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -123.33 147.77 46.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.478 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 26.0 tttt -59.67 -57.34 13.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 109' ' ' ASP . 0.1 OUTLIER -47.67 -36.67 11.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.409 ' N ' ' HG2' ' A' ' 108' ' ' LYS . 5.9 t0 -61.8 -33.03 73.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.1 tp -80.11 -47.04 15.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -52.83 -50.71 63.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.3 -36.69 82.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -64.75 -35.12 80.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 34.2 mtp -82.25 -19.99 38.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.3 mt -87.06 -26.24 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -91.28 -58.48 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.509 ' N ' HD23 ' A' ' 117' ' ' LEU . 4.1 mt -77.13 -52.12 9.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.856 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -81.48 -178.18 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -153.3 150.84 29.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.421 ' C ' ' H ' ' A' ' 12' ' ' THR . 4.1 t -88.24 117.63 68.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.663 0.744 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 11.68 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.307 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.421 ' H ' ' C ' ' A' ' 10' ' ' CYS . 19.4 m -119.4 -58.13 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 p -101.12 -7.66 22.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 63.05 45.34 5.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.45 ' HE2' ' CE2' ' A' ' 17' ' ' PHE . 54.2 tttt -106.05 113.33 26.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -80.57 141.92 34.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.906 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.45 ' CE2' ' HE2' ' A' ' 15' ' ' LYS . 46.7 m-85 -125.94 178.84 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 18' ' ' LEU . 8.3 mp -76.61 -55.57 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.7 p -126.48 145.5 50.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' LEU . 11.1 ttpt -44.44 -47.06 9.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.565 ' O ' HG23 ' A' ' 25' ' ' VAL . 15.2 t80 -38.84 -54.69 1.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -58.68 -37.07 75.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 20' ' ' LYS . 22.6 tp -69.58 -63.46 1.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 19.5 ptpt -43.86 -38.38 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 21' ' ' TYR . 86.6 t -70.98 -40.46 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.149 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -71.94 -58.08 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 26' ' ' HIS . 11.4 t30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.848 0.356 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.433 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 22.0 tt0 -153.51 157.29 39.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.2 t -74.95 113.3 23.41 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.66 0.743 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 0.92 4.92 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.361 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -100.43 -45.24 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.8 p -113.73 -43.47 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.77 36.27 2.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.514 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 6.5 tmtm? -94.6 120.92 35.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.323 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.1 p -64.16 157.17 26.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.514 ' CE2' ' HD2' ' A' ' 43' ' ' LYS . 5.0 m-85 -167.72 107.85 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.16 -49.23 43.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.474 ' CG ' ' HB2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -88.38 140.52 29.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -84.04 -29.76 26.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 35.5 mp0 -55.63 -55.77 28.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.474 ' HB2' ' CG ' ' A' ' 47' ' ' ARG . 2.3 m-80 -63.55 -51.46 65.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.41 ' HB2' ' CB ' ' A' ' 45' ' ' TYR . 18.9 tp -47.7 -43.03 26.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.4 mt -58.84 -42.8 90.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 54' ' ' HIS . 36.4 mt-10 -62.86 -62.54 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.426 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -36.26 -51.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -37.68 -44.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -93.7 -43.74 8.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -63.24 1.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.686 HG12 ' HA ' ' A' ' 77' ' ' ARG . 35.4 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.838 0.351 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 10.0 m-85 -119.66 161.95 19.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.2 m -124.61 128.93 49.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.175 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.439 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 5.2 t -56.8 172.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.4 t -113.29 3.08 15.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.458 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 89.2 t -123.36 -48.83 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.0 p -113.36 -2.34 14.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.439 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 44.4 mm-40 60.15 34.71 21.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.589 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -57.41 -174.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.1 p -127.41 128.13 45.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.589 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 10.3 m-85 -135.22 114.98 12.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.686 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -48.88 -33.19 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.461 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 21.2 mtp85 -125.18 171.94 9.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.57 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 11.2 ttp180 -76.83 -64.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' ARG . 0.7 OUTLIER -33.35 -49.13 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -48.72 -53.14 20.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.518 HD13 ' CE1' ' A' ' 76' ' ' PHE . 14.3 tp -52.22 -38.89 59.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -62.31 -47.29 84.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.93 -14.43 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -91.1 -39.76 11.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.13 -32.44 35.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.462 HG12 ' CE ' ' A' ' 105' ' ' MET . 5.1 m -49.96 -33.94 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.9 m -67.08 -29.12 68.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.458 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 52.5 m-70 -82.02 -54.05 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.827 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.2 t -68.92 -39.91 79.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 85.6 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.902 0.382 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -155.37 151.08 27.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -86.39 -177.07 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 t -124.24 -43.17 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -71.14 -45.56 63.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.507 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.2 p -105.93 -15.56 14.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m 65.0 35.74 7.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.507 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.6 mm100 -69.09 -174.29 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -143.63 139.61 29.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -140.19 172.3 12.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.462 ' CE ' HG12 ' A' ' 87' ' ' VAL . 9.1 mmt -108.46 -23.97 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -119.49 150.58 40.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 25.7 tttp -66.75 -46.83 74.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -62.33 -26.5 68.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -35.07 76.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.1 tp -79.18 -48.24 14.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -52.02 -50.55 61.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 t -62.04 -40.77 96.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.542 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.4 t60 -58.15 -40.38 81.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.458 ' O ' ' C ' ' A' ' 118' ' ' HIS . 41.5 mtp -76.28 -32.83 59.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.1 mt -76.13 -23.52 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.48 -55.09 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.542 HD12 ' CE1' ' A' ' 113' ' ' HIS . 6.5 mt -81.08 -51.36 8.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 114' ' ' MET . 68.9 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.515 HG21 ' HB2' ' A' ' 23' ' ' LEU . 29.0 m -83.47 -177.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 111.125 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -147.73 137.29 22.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 14' ' ' HIS . 42.8 t -86.44 115.92 63.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.664 0.745 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 5.05 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -102.17 -52.12 3.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.9 p -120.52 10.06 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' CYS . 67.6 m-70 56.98 25.05 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.528 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 62.0 tttt -85.61 111.83 20.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -84.58 157.52 21.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.528 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 43.6 m-85 -137.76 -176.4 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 mp -69.94 -54.69 12.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 t -136.43 172.68 12.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.484 ' CD ' ' HG3' ' A' ' 24' ' ' LYS . 4.2 tmtp? -57.11 -50.41 72.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -38.82 -60.03 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -49.31 -43.62 43.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.515 ' HB2' HG21 ' A' ' 8' ' ' VAL . 44.0 tp -58.08 -61.25 2.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.484 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 36.3 mttm -43.04 -43.69 4.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.4 t -68.54 -33.99 62.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 4.3 t60 -76.55 -62.15 1.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.463 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.815 0.341 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 44' ' ' CYS . 36.4 tt0 -170.91 123.15 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.591 ' HA ' HD11 ' A' ' 51' ' ' LEU . 2.3 t -36.37 105.74 0.3 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.731 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 53.9 Cg_endo -69.74 2.1 3.83 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -99.37 -34.86 10.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.1 p -125.88 -43.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.56 21.56 3.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.579 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 3.1 tmtm? -80.96 106.23 12.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.747 0.308 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.48 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 11.5 p -63.24 165.53 7.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.579 ' CE2' ' HD2' ' A' ' 43' ' ' LYS . 6.0 m-85 -165.1 114.62 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -39.72 -48.36 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -112.44 157.64 20.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 49' ' ' GLU . 64.6 tttt -70.97 -54.23 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 48' ' ' LYS . 19.4 tt0 -34.54 -56.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -54.99 -51.47 66.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.591 HD11 ' HA ' ' A' ' 38' ' ' CYS . 6.6 tp -49.11 -52.22 27.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.9 mt -57.09 -41.4 78.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.58 -44.65 95.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 58' ' ' ASN . 3.6 t60 -57.87 -37.49 74.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -60.17 -63.55 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.41 -51.14 67.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -54.16 -70.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 54' ' ' HIS . 29.9 t-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 77' ' ' ARG . 27.5 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.847 0.356 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 19.0 m-85 -125.51 158.55 34.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 73' ' ' GLN . 88.0 m -118.33 127.07 53.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.446 ' HA ' ' CD1' ' A' ' 82' ' ' LEU . 5.3 t -53.34 172.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.8 m -113.13 10.59 18.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.407 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 46.9 t -134.13 -44.56 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.2 p -117.14 -0.49 12.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.418 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 37.0 mm-40 57.91 34.97 24.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 2.5 tp10 -56.15 -173.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.9 p -128.55 122.86 32.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.554 ' CE1' HD13 ' A' ' 82' ' ' LEU . 11.6 m-85 -129.99 118.87 22.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.592 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -55.81 -27.99 53.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -127.24 160.87 29.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 13.1 ttp180 -68.23 -61.89 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 79' ' ' ARG . 4.4 tpt -37.53 -47.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -46.8 -51.6 16.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.554 HD13 ' CE1' ' A' ' 76' ' ' PHE . 18.6 tp -54.83 -34.99 63.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -66.93 -41.72 86.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.816 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 mt -73.01 -19.0 61.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -87.21 -38.14 16.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.429 ' HA ' ' HE3' ' A' ' 86' ' ' MET . 0.2 OUTLIER -50.17 -22.93 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 m -57.49 -29.72 34.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.1 p -70.95 -13.51 62.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.407 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 86.5 m-70 -104.96 -23.56 12.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.0 p -95.12 -31.19 13.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.506 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.942 0.401 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.404 ' HG2' ' HG2' ' A' ' 103' ' ' GLN . 4.3 mtmm -152.41 143.2 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -79.55 -174.55 4.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.3 m -126.11 -43.6 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -71.13 -42.65 68.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.529 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 31.2 p -111.61 -2.08 15.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.5 p 54.55 27.95 9.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.529 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 3.7 mm100 -60.75 -173.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.613 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 19.7 mt-30 -145.16 148.22 33.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.613 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.4 m-85 -148.03 165.65 30.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.8 mmt -97.62 -28.39 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -122.41 159.3 27.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.417 ' HD3' ' CG ' ' A' ' 111' ' ' GLN . 0.1 OUTLIER -67.42 -57.95 5.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -48.43 -39.37 22.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -58.77 -29.98 67.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 16.7 tp -88.56 -44.07 10.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.417 ' CG ' ' HD3' ' A' ' 107' ' ' LYS . 25.8 mm-40 -54.5 -51.37 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -61.74 -38.8 89.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.56 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.8 t60 -60.72 -41.13 94.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 34.3 mtp -74.92 -23.41 58.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.6 mt -85.57 -23.1 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -96.21 -56.39 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 113' ' ' HIS . 4.3 mt -76.79 -51.82 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.867 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.8 m -73.08 174.35 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -144.17 142.52 30.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.2 t -91.25 115.69 64.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.67 0.748 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 6.36 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 m -102.24 -57.73 2.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 23.2 p -116.37 18.08 15.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 48.38 33.79 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.408 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 50.7 tttt -94.76 114.66 26.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -82.85 159.26 22.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -138.23 174.2 10.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.8 mt -73.86 -43.78 57.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.0 m -141.9 177.61 8.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' N ' ' HD3' ' A' ' 20' ' ' LYS . 2.0 mppt? -66.53 -40.4 89.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -45.44 -64.55 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -51.27 -36.19 40.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.7 tp -67.57 -66.21 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.496 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 44.4 pttt -42.98 -36.87 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.496 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 72.1 t -74.73 -37.3 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -70.17 -51.2 33.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 t30 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.928 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.868 0.366 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 29.8 tt0 -164.57 153.57 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.575 ' HA ' HD11 ' A' ' 51' ' ' LEU . 8.4 t -71.08 113.11 16.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.631 0.729 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 53.9 Cg_endo -69.74 0.68 5.28 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.625 2.216 . . . . 0.0 112.361 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -99.81 -42.56 6.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 38' ' ' CYS . 27.0 p -116.58 -45.61 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.48 35.89 1.68 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.431 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 4.4 tmtt? -94.26 119.32 32.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.733 0.302 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.0 p -68.06 152.4 45.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -147.48 145.42 29.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -72.68 -41.21 65.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -112.37 148.99 33.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -70.65 -48.89 52.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -48.72 -53.53 18.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -51.26 -47.44 62.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.575 HD11 ' HA ' ' A' ' 38' ' ' CYS . 31.4 tp -56.01 -54.37 45.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.9 mt -49.08 -41.42 35.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.42 -62.09 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -40.18 -46.32 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -44.69 -40.91 6.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.31 -44.17 8.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -53.26 -54.45 35.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.844 0.354 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.552 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 8.4 m-85 -112.98 149.8 32.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.4 m -114.83 130.4 56.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.144 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.453 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 4.5 t -60.14 174.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.7 t -116.33 -0.3 12.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.474 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 56.1 t -119.85 -48.97 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 27.1 p -113.46 -2.36 13.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.453 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 8.6 mm100 59.9 36.18 21.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.607 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 1.5 tp10 -61.28 179.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.9 p -123.14 129.4 51.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.669 ' CE1' HD13 ' A' ' 82' ' ' LEU . 8.7 m-85 -134.38 117.47 16.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.836 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -52.66 -32.5 42.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.407 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 88.7 mtt180 -124.63 170.27 11.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.552 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 13.1 tpp180 -77.43 -59.67 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' ARG . 5.8 tpt -36.14 -53.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -45.28 -48.31 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.669 HD13 ' CE1' ' A' ' 76' ' ' PHE . 32.7 tp -56.58 -43.35 79.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -58.01 -42.14 84.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.407 ' O ' HG22 ' A' ' 87' ' ' VAL . 5.8 mt -75.06 -12.75 60.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.413 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 36.8 t60 -90.41 -44.58 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -49.75 -34.07 18.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 84' ' ' LEU . 3.8 m -50.8 -32.34 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -67.28 -28.02 67.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.474 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 58.7 m-70 -82.54 -51.04 8.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 91' ' ' GLY . 6.1 t -71.78 -45.32 61.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.455 ' N ' HG23 ' A' ' 90' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 86.3 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.015 0.436 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -151.34 142.17 22.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -74.36 -175.36 2.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.7 m -122.86 -45.66 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -71.18 -48.26 52.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.505 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.0 p -102.45 -14.65 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 55.9 m 63.14 34.51 13.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.505 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.4 mm-40 -65.37 -175.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.506 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 31.0 mt-30 -140.7 146.69 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 11.0 m-85 -148.32 165.2 31.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.1 mmt -96.84 -29.16 13.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -117.85 160.31 21.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 37.3 tttm -73.18 -50.18 23.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -56.0 -33.51 64.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.473 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 4.5 t0 -61.26 -36.52 80.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 20.0 tp -77.13 -50.88 12.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -47.67 -51.04 23.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -62.72 -43.66 98.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.84 -39.44 68.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.48 ' O ' ' C ' ' A' ' 118' ' ' HIS . 40.9 mtp -78.02 -30.64 50.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.6 mt -75.0 -28.51 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.484 ' N ' ' HE2' ' A' ' 116' ' ' LYS . 0.3 OUTLIER -89.29 -57.01 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.827 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.493 ' N ' HD23 ' A' ' 117' ' ' LEU . 4.9 mt -78.32 -54.23 6.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.48 ' C ' ' O ' ' A' ' 114' ' ' MET . 45.2 m80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.79 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.624 HG11 ' HG2' ' A' ' 20' ' ' LYS . 31.6 m -72.19 176.04 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.799 0.333 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -144.1 146.79 33.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.7 t -98.01 114.24 64.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 6.36 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -101.31 -55.3 2.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.9 p -119.23 15.51 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 52.56 30.37 8.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 45.7 tttt -92.03 117.03 29.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -87.75 157.19 19.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.44 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 68.5 m-85 -139.37 178.18 7.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -64.49 -55.84 18.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.8 m -141.45 165.71 26.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.624 ' HG2' HG11 ' A' ' 8' ' ' VAL . 22.3 mmtm -45.94 -56.77 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.462 ' C ' ' O ' ' A' ' 20' ' ' LYS . 4.3 t80 -32.38 -65.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -50.18 -48.69 53.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.438 ' HB2' HG21 ' A' ' 8' ' ' VAL . 19.2 tp -55.23 -58.26 8.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.417 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 50.9 mttm -43.15 -59.57 2.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.7 t -53.71 -35.16 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.154 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.533 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 4.1 t60 -71.1 -65.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.533 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.805 0.336 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.401 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 30.5 tt0 -135.07 125.4 26.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 3.9 t -41.38 112.62 0.99 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 53.4 Cg_endo -69.81 -1.62 8.82 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -95.41 -47.29 6.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.8 p -110.91 -43.49 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.49 35.85 1.84 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.401 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 30.0 tptt -97.1 121.72 39.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.7 p -74.85 145.5 42.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -145.89 116.92 7.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -50.58 -49.9 55.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.33 146.73 24.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.455 ' HE3' HD23 ' A' ' 51' ' ' LEU . 33.9 tptt -71.13 -47.57 57.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -43.87 -60.14 1.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -47.89 -55.11 10.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.455 HD23 ' HE3' ' A' ' 48' ' ' LYS . 12.1 tp -47.07 -51.88 16.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.52 -51.97 67.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 57' ' ' ARG . 44.0 mt-10 -53.15 -38.46 62.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -65.72 -42.43 91.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -54.29 -55.59 26.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.34 -50.11 29.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 53' ' ' GLU . 4.1 tmt_? -54.04 -64.59 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.2 t30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.603 HG12 ' HA ' ' A' ' 77' ' ' ARG . 30.5 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.841 0.353 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 5.3 m-85 -116.38 175.38 5.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 93.4 m -141.47 124.04 15.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.45 ' SG ' ' CE ' ' A' ' 86' ' ' MET . 25.2 t -58.6 158.17 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.5 t -102.89 15.34 29.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.449 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 53.1 t -128.7 -45.88 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.1 p -117.66 -12.7 10.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 71.74 31.37 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.596 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -56.95 -174.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.6 p -128.38 128.27 44.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.737 ' CE1' HD13 ' A' ' 82' ' ' LEU . 8.7 m-85 -134.86 118.81 17.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.621 ' H ' ' NE ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -54.8 -31.46 59.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -125.88 169.93 12.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 4.8 ttp-105 -75.89 -60.47 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 79' ' ' ARG . 5.5 tpt -36.77 -52.73 0.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -45.56 -50.22 13.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.737 HD13 ' CE1' ' A' ' 76' ' ' PHE . 32.4 tp -55.79 -39.12 70.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -61.32 -43.7 98.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.412 ' O ' HG22 ' A' ' 87' ' ' VAL . 7.4 mt -71.5 -14.05 62.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.403 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 21.1 t60 -89.53 -44.72 9.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.45 ' CE ' ' SG ' ' A' ' 69' ' ' CYS . 0.2 OUTLIER -47.71 -33.95 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.439 HG12 ' CE ' ' A' ' 105' ' ' MET . 4.6 m -49.59 -32.28 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.8 t -67.13 -28.85 68.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.449 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 55.9 m-70 -84.08 -52.74 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.6 t -69.69 -40.59 76.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.612 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 72.2 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.909 0.385 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.405 ' NZ ' ' HB2' ' A' ' 96' ' ' LYS . 2.0 mtmp? -154.73 143.87 21.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.88 -177.85 6.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.8 p -121.38 -46.81 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -65.86 -51.78 55.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 30.0 p -98.5 -22.01 16.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.1 m 72.97 25.2 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -61.57 -174.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.601 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 32.4 mt-30 -140.43 154.84 46.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.601 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 5.1 m-85 -153.87 159.54 41.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.439 ' CE ' HG12 ' A' ' 87' ' ' VAL . 5.6 mmt -95.71 -27.01 15.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.455 ' C ' ' CE2' ' A' ' 95' ' ' TYR . 12.8 mt-30 -114.33 165.37 12.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.612 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 1.5 ttmp? -80.21 -45.1 18.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -61.62 -31.75 71.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -61.85 -37.64 85.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.6 tp -77.45 -51.4 10.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.42 ' O ' HD12 ' A' ' 115' ' ' ILE . 26.6 mt-30 -49.38 -51.51 34.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 t -64.09 -36.75 85.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.402 ' NE2' HD12 ' A' ' 117' ' ' LEU . 0.5 OUTLIER -62.44 -40.77 97.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 48.0 mtp -75.33 -26.5 58.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 111' ' ' GLN . 16.2 mt -81.14 -26.58 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -92.73 -58.53 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.402 HD12 ' NE2' ' A' ' 113' ' ' HIS . 6.4 mt -72.64 -50.11 27.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.922 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.977 HG11 ' HD3' ' A' ' 20' ' ' LYS . 27.3 m -79.93 174.94 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 111.125 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -141.52 139.72 33.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 14' ' ' HIS . 43.5 t -86.92 115.56 62.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.658 0.742 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 4.98 1.86 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -101.25 -53.33 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.2 p -118.58 9.21 12.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 10' ' ' CYS . 72.9 m-70 59.69 25.07 13.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.405 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 31.5 tttt -85.89 120.48 27.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -95.15 157.06 16.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.915 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.405 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 17.1 m-85 -136.84 174.15 10.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.764 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -74.51 -36.16 63.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 m -142.53 158.37 43.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.977 ' HD3' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -56.33 -49.59 73.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' LYS . 75.8 t80 -35.57 -54.74 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.646 ' HE2' HD11 ' A' ' 18' ' ' LEU . 9.8 m-85 -59.5 -43.46 93.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' HB2' HG21 ' A' ' 8' ' ' VAL . 33.1 tp -56.51 -43.31 79.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -60.46 -64.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 64.7 t -48.09 -35.66 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.52 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 3.1 t60 -70.85 -62.98 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.52 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 40.2 tt0 -167.77 134.67 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 4.3 t -49.49 110.33 1.54 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.693 0.759 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 53.8 Cg_endo -69.69 0.83 5.02 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.754 2.302 . . . . 0.0 112.317 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -98.57 -40.28 8.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.7 p -119.74 -44.12 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.14 31.74 1.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.422 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 13.2 tptp -92.04 111.16 22.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.558 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 1.8 m -62.11 163.21 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 44' ' ' CYS . 9.9 m-85 -163.67 128.39 2.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -58.69 -54.97 41.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.05 129.06 51.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -54.66 -46.54 74.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -43.71 -46.07 7.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -65.01 -48.87 72.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.9 tp -51.72 -54.08 32.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.9 mt -46.4 -45.5 17.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -56.12 -58.64 7.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 55' ' ' GLU . 1.0 OUTLIER -44.03 -53.45 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' HIS . 43.7 mt-10 -37.54 -44.82 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.01 -44.97 12.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -55.3 -62.43 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.9 m120 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' ' 77' ' ' ARG . 27.6 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.882 0.372 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.447 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 9.8 m-85 -114.28 153.19 30.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 95.1 m -117.18 129.3 55.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.445 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.8 t -55.96 172.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.3 t -115.88 12.82 15.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.521 HG11 ' ND1' ' A' ' 89' ' ' HIS . 49.5 t -133.82 -44.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.0 p -117.15 -4.37 11.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 61.31 40.18 14.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -64.58 -174.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.6 p -127.72 126.98 42.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 14.9 m-85 -134.07 114.69 13.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.598 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -52.95 -22.03 5.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.2 mtt-85 -134.47 166.38 23.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 80' ' ' MET . 7.3 tpt180 -73.35 -64.18 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.46 ' C ' ' O ' ' A' ' 79' ' ' ARG . 2.7 tpt -33.22 -53.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -46.01 -48.04 16.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.548 HD13 ' CE1' ' A' ' 76' ' ' PHE . 19.6 tp -56.84 -39.39 74.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.403 ' CB ' ' HG3' ' A' ' 105' ' ' MET . 10.8 mmm180 -62.82 -45.83 90.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.9 mt -67.43 -20.92 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -85.41 -40.31 16.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -48.72 -21.77 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.1 m -55.07 -30.82 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.2 p -72.83 -13.63 61.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.521 ' ND1' HG11 ' A' ' 71' ' ' VAL . 82.3 m-70 -107.23 -32.77 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.6 p -82.62 -35.09 27.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.188 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.455 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 89.6 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.989 0.423 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -152.63 143.16 22.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.927 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.5 t -78.93 -175.5 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.6 t -126.27 -42.73 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 m -71.76 -40.05 69.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.518 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 30.2 p -113.01 -11.51 13.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 p 64.71 25.3 13.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.518 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.2 mm100 -59.56 -174.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.611 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 21.6 mt-30 -142.87 152.78 42.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 8.3 m-85 -152.43 164.75 36.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.403 ' HG3' ' CB ' ' A' ' 83' ' ' ARG . 6.1 mmt -99.67 -26.22 14.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -120.79 154.38 35.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 29.7 tttm -68.49 -51.1 46.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -57.34 -26.62 61.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.0 -30.19 66.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 18.1 tp -83.34 -45.28 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -53.92 -52.31 60.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -59.44 -41.42 89.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.506 ' CE1' HD12 ' A' ' 117' ' ' LEU . 5.1 t60 -58.03 -39.01 77.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 35.5 mtp -78.09 -22.45 48.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 17.9 mt -84.29 -26.1 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.1 -56.32 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.509 ' N ' HD23 ' A' ' 117' ' ' LEU . 4.5 mt -78.9 -52.92 7.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.868 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 20' ' ' LYS . 35.4 m -73.0 168.13 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 0.0 111.157 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -138.1 145.05 41.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.401 ' C ' ' H ' ' A' ' 12' ' ' THR . 34.9 t -95.67 113.49 62.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.632 0.73 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 10.59 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.384 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.401 ' H ' ' C ' ' A' ' 10' ' ' CYS . 3.1 m -104.89 -58.73 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 27.8 p -115.57 10.5 15.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 58.55 30.23 19.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.406 ' HB2' ' NZ ' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -92.89 113.17 25.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -84.24 160.17 20.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -139.7 158.41 44.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.698 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -67.93 -39.65 83.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.0 t -136.85 158.76 43.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' LEU . 1.8 mppt? -58.57 -49.38 77.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' LYS . 19.5 t80 -35.94 -56.07 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.698 ' HE2' HD11 ' A' ' 18' ' ' LEU . 11.7 m-85 -59.22 -36.28 75.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 20' ' ' LYS . 53.4 tp -66.16 -60.91 2.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.938 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -48.15 -36.01 12.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.811 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.471 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 53.9 t -75.07 -38.59 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -68.93 -54.21 16.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.832 0.349 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -155.74 131.19 9.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 t -54.98 112.69 4.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.59 4.33 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -98.88 -44.38 6.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.5 p -114.41 -42.83 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.66 38.02 2.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.4 ' HD2' ' CZ ' ' A' ' 45' ' ' TYR . 3.7 tmtt? -100.21 114.04 27.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.9 p -60.41 155.17 18.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.4 ' CZ ' ' HD2' ' A' ' 43' ' ' LYS . 15.7 m-85 -154.45 115.17 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -41.15 -57.28 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' A' ' 47' ' ' ARG . 2.6 mmp_? -107.69 149.11 28.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 49' ' ' GLU . 12.0 ttpp -69.31 -44.67 71.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 48' ' ' LYS . 13.7 mt-10 -33.97 -55.5 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -61.49 -44.79 96.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 48' ' ' LYS . 17.9 tp -53.64 -44.71 69.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.1 mt -57.77 -45.38 86.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 54' ' ' HIS . 59.5 mt-10 -64.73 -65.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 53' ' ' GLU . 1.7 t60 -36.13 -38.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.07 -49.75 76.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 53' ' ' GLU . . . -80.99 -50.58 9.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.092 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.454 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 25.7 mmt180 -53.63 -64.17 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 70.8 m-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.637 HG12 ' HA ' ' A' ' 77' ' ' ARG . 28.5 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.88 0.371 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 9.3 m-85 -118.49 156.09 29.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 89.9 m -119.32 129.35 54.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.433 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.5 t -57.02 173.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.9 t -115.61 4.65 14.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.46 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 88.0 t -125.16 -48.69 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.444 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.0 p -113.1 -3.27 13.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 60.89 37.06 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 2.5 tp10 -61.14 -176.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.5 p -126.82 125.55 41.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.785 ' CE1' HD13 ' A' ' 82' ' ' LEU . 8.4 m-85 -131.41 115.56 16.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.637 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -48.75 -34.82 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.443 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 21.2 mtp180 -124.12 171.4 9.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.562 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 17.0 tpt180 -76.59 -60.81 2.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 79' ' ' ARG . 4.0 tpt -36.39 -48.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -48.53 -51.36 27.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.785 HD13 ' CE1' ' A' ' 76' ' ' PHE . 37.2 tp -53.87 -40.34 66.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -60.59 -43.85 96.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.3 mt -71.91 -12.5 61.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.404 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 25.9 t60 -92.57 -43.65 9.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -48.09 -33.36 8.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.7 m -49.97 -33.64 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.1 p -65.88 -27.73 68.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.46 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 65.5 m-70 -84.58 -55.15 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 91' ' ' GLY . 6.6 t -65.46 -42.65 92.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.416 ' N ' HG23 ' A' ' 90' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.534 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.985 0.421 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -156.33 142.92 18.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.0 -174.95 4.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 m -124.28 -45.02 1.98 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.556 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.0 OUTLIER -70.61 -50.76 33.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.517 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.2 p -101.86 -13.14 17.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.4 m 64.46 31.88 12.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.517 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 3.5 mm-40 -61.27 -173.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.499 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 32.7 mt-30 -143.09 142.02 31.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.69 ' CE1' HD13 ' A' ' 110' ' ' LEU . 1.4 m-85 -144.19 167.13 23.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.5 mmt -107.13 -23.89 12.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -125.75 154.0 43.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -56.55 -67.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -42.58 -41.59 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -54.41 -38.33 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.69 HD13 ' CE1' ' A' ' 104' ' ' PHE . 21.4 tp -86.8 -55.49 3.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -47.68 -48.45 29.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.402 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 1.4 t -63.87 -39.91 95.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.88 -40.19 87.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.821 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 118' ' ' HIS . 47.7 mtp -76.09 -27.7 57.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.2 mt -80.1 -27.05 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.402 ' CD ' ' O ' ' A' ' 112' ' ' SER . 1.2 mptm? -88.61 -57.1 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.4 mt -80.18 -55.34 5.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.556 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 87.1 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.51 HG11 ' HD3' ' A' ' 20' ' ' LYS . 35.1 m -83.18 174.14 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.439 ' CD ' ' HE2' ' A' ' 16' ' ' LYS . 16.7 tt0 -146.86 141.24 26.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.405 ' C ' ' H ' ' A' ' 12' ' ' THR . 32.2 t -89.8 113.18 55.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 9.86 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.405 ' H ' ' C ' ' A' ' 10' ' ' CYS . 3.1 m -105.21 -60.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 27.0 p -112.23 12.2 20.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 57.01 29.18 15.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.488 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 14.6 ttmt -90.41 114.27 26.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HE2' ' CD ' ' A' ' 9' ' ' GLU . 26.7 mttt -91.59 157.93 16.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.488 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 29.7 m-85 -135.98 -179.89 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.728 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -84.28 -38.18 20.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -136.95 175.06 9.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.51 ' HD3' HG11 ' A' ' 8' ' ' VAL . 9.4 mmtp -69.58 -50.98 39.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.443 ' O ' HG23 ' A' ' 25' ' ' VAL . 20.3 t80 -36.03 -56.69 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.648 ' HE2' HD11 ' A' ' 18' ' ' LEU . 13.0 m-85 -56.48 -38.37 71.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 20' ' ' LYS . 60.2 tp -67.59 -61.91 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -45.46 -41.89 9.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 21' ' ' TYR . 92.4 t -69.53 -40.02 79.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.524 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 3.6 t60 -72.33 -64.08 1.02 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.524 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.8 0.333 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 8.7 tt0 -148.55 138.94 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 t -54.91 108.06 1.05 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.62 0.724 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 2.73 3.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -99.8 -34.57 10.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.6 p -128.99 -46.4 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.29 49.3 0.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.44 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 37' ' ' GLU . 16.5 tppt? -104.21 121.83 44.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.536 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 26.7 p -72.3 155.61 40.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.536 ' CG ' ' O ' ' A' ' 44' ' ' CYS . 5.8 m-85 -174.97 110.49 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.953 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.42 -41.63 89.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -86.09 123.3 31.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -52.65 63.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -49.61 -56.38 10.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -46.14 -47.44 17.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.8 tp -61.4 -46.7 89.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.3 mt -55.97 -44.83 78.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.99 -53.09 62.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -46.76 -54.15 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 54' ' ' HIS . 6.9 mt-10 -34.57 -41.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.09 -44.31 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -54.48 -63.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.3 m120 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.413 ' HB ' ' O ' ' A' ' 76' ' ' PHE . 28.0 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.901 0.381 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 1.8 m-85 -107.33 169.47 8.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.1 m -133.77 129.53 36.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.4 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 5.1 t -62.43 170.05 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.4 t -112.73 5.24 17.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.484 HG11 ' ND1' ' A' ' 89' ' ' HIS . 92.6 t -124.29 -48.8 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.0 p -113.19 -3.22 13.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 60.07 37.15 21.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.597 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 3.0 tp10 -58.89 -179.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.4 p -127.39 122.82 34.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.702 ' CE1' HD13 ' A' ' 82' ' ' LEU . 10.5 m-85 -126.31 175.81 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.08 -27.78 6.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -119.56 158.61 25.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.766 HH21 HD23 ' A' ' 82' ' ' LEU . 1.9 tpm_? -70.98 -47.88 56.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.2 tpt -55.7 -46.49 77.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -45.98 -54.74 7.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.766 HD23 HH21 ' A' ' 79' ' ' ARG . 14.2 tp -51.4 -42.28 61.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.435 ' HD3' ' NH1' ' A' ' 79' ' ' ARG . 12.3 mmm180 -60.19 -41.37 92.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.4 mt -72.21 -14.37 61.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -91.93 -42.78 9.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -49.8 -32.86 14.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.418 ' H ' HG13 ' A' ' 87' ' ' VAL . 3.2 m -51.05 -31.81 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.0 p -66.78 -28.05 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.484 ' ND1' HG11 ' A' ' 71' ' ' VAL . 73.6 m-70 -84.85 -54.39 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.2 t -65.64 -41.2 92.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.948 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.456 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 85.2 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.912 0.387 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.9 mtmm -154.18 145.84 23.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -81.62 -176.5 6.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.0 p -123.45 -44.18 2.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.6 m -70.97 -47.4 59.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.517 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 20.8 p -103.5 -19.27 14.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.2 m 69.47 31.76 3.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.517 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 5.0 mm100 -65.71 -175.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.419 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 31.6 mt-30 -141.59 146.69 36.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 18.0 m-85 -147.33 163.48 36.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.5 mmt -96.97 -28.08 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -118.09 152.37 35.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.456 ' HG3' ' CE1' ' A' ' 95' ' ' TYR . 6.2 ttpp -64.11 -54.64 30.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 6.2 pttm -51.43 -39.02 56.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.481 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 7.9 t0 -55.32 -36.94 66.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 26.6 tp -78.09 -51.61 10.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -49.01 -50.8 34.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 t -62.76 -40.7 98.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -59.51 -40.74 88.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 44.5 mtp -76.73 -25.9 54.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 21.0 mt -82.45 -23.17 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -93.34 -57.21 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.427 ' N ' HD23 ' A' ' 117' ' ' LEU . 6.3 mt -77.8 -53.74 7.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.845 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.684 ' HB ' HD22 ' A' ' 23' ' ' LEU . 34.8 m -84.9 166.7 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 111.154 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -145.41 143.91 30.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.462 ' C ' ' H ' ' A' ' 12' ' ' THR . 24.3 t -88.2 115.67 63.89 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 53.4 Cg_endo -69.78 19.56 0.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.462 ' H ' ' C ' ' A' ' 10' ' ' CYS . 6.6 m -118.25 -59.73 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.0 p -111.09 13.67 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 49.76 43.38 24.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.506 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 28.6 tttm -100.49 108.56 20.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -82.22 152.52 26.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.506 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 57.0 m-85 -133.04 -176.68 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.665 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -92.37 -39.62 11.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 t -130.9 144.47 51.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -52.08 -42.36 63.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.617 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.7 t80 -45.76 -34.97 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.478 ' HE2' HD11 ' A' ' 18' ' ' LEU . 7.5 m-85 -74.58 -34.83 62.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.684 HD22 ' HB ' ' A' ' 8' ' ' VAL . 43.2 tp -65.58 -54.8 22.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -55.26 -44.93 76.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 21' ' ' TYR . 89.0 t -66.86 -37.9 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.131 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -69.35 -42.37 75.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 t30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.911 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.814 0.34 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.426 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 31.9 tt0 -164.74 128.55 2.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.461 ' HA ' HD11 ' A' ' 51' ' ' LEU . 2.0 t -40.09 108.33 0.51 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.663 0.744 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 2.82 3.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.373 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.67 -41.76 6.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.0 p -116.71 -42.38 2.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.09 35.15 1.69 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.426 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 21.2 tptp -95.37 113.86 25.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.737 0.303 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 71.6 m -77.12 150.52 35.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -160.06 108.18 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -42.46 -50.93 5.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -83.81 122.72 29.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -55.18 -44.08 74.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -49.82 -59.65 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -45.96 -46.24 16.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.461 HD11 ' HA ' ' A' ' 38' ' ' CYS . 21.1 tp -60.41 -54.17 48.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.3 mt -52.8 -52.7 55.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -48.4 -58.92 3.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 55' ' ' GLU . 1.0 OUTLIER -47.1 -58.2 4.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.81 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 54' ' ' HIS . 13.2 mt-10 -33.73 -44.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.09 -45.76 11.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -54.4 -61.51 2.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 77' ' ' ARG . 31.9 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.889 0.376 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.539 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 9.2 m-85 -117.95 147.92 42.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 94.5 m -112.72 130.44 56.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.467 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 5.9 t -58.01 171.72 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.7 t -111.59 -0.95 15.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.475 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 90.8 t -118.35 -50.17 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.8 p -111.91 -4.3 14.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.467 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 57.6 mm-40 61.75 33.69 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.595 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.8 tp10 -56.85 -176.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.1 p -126.36 126.63 44.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.692 ' CE1' HD13 ' A' ' 82' ' ' LEU . 9.5 m-85 -133.4 114.16 13.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.564 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -49.06 -33.55 11.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.437 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 35.8 mtt180 -124.36 169.25 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.539 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 2.6 tpp85 -75.41 -61.22 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' ARG . 3.8 tpt -35.58 -48.68 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -48.34 -52.08 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.692 HD13 ' CE1' ' A' ' 76' ' ' PHE . 42.5 tp -53.94 -39.81 66.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.3 mmm-85 -60.97 -42.89 99.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mt -73.48 -12.62 60.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.407 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 22.1 t60 -92.8 -43.19 9.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -48.7 -33.57 10.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.6 m -49.09 -34.27 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.9 p -65.44 -28.87 69.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.475 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 60.5 m-70 -83.83 -54.65 4.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.9 t -66.69 -41.31 88.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.488 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.457 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 90.1 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.985 0.421 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -154.32 144.4 21.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -76.01 -176.33 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.4 m -122.48 -46.54 2.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -68.01 -47.74 67.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.844 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.487 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.0 p -103.42 -22.52 13.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 t 73.81 31.57 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.487 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.7 mm100 -60.56 -174.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.52 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 33.8 mt-30 -140.93 142.72 34.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.4 m-85 -148.9 157.78 43.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.8 mmt -94.01 -27.84 16.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -116.1 149.59 38.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.457 ' HG3' ' CE1' ' A' ' 95' ' ' TYR . 1.7 ttpm? -63.78 -54.93 27.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -51.44 -36.83 45.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.434 ' N ' ' HG2' ' A' ' 108' ' ' LYS . 1.9 t70 -58.2 -37.25 74.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.4 tp -77.03 -51.21 11.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -48.23 -50.15 30.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.69 -41.06 98.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -59.26 -38.86 81.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.47 ' O ' ' C ' ' A' ' 118' ' ' HIS . 34.1 mtp -78.93 -29.26 44.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 21.2 mt -77.43 -29.83 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.02 -58.44 2.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.425 ' N ' HD23 ' A' ' 117' ' ' LEU . 5.6 mt -77.28 -55.88 5.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.47 ' C ' ' O ' ' A' ' 114' ' ' MET . 92.0 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.438 HG11 ' HG2' ' A' ' 20' ' ' LYS . 15.6 m -88.84 172.35 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.117 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.408 ' CB ' ' HG2' ' A' ' 16' ' ' LYS . 13.6 tt0 -143.97 144.03 31.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.2 t -92.94 112.07 54.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.671 0.748 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 6.79 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.649 2.233 . . . . 0.0 112.401 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -100.16 -58.78 1.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.2 p -115.82 11.96 15.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 59.24 27.19 16.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.516 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 71.5 tttt -88.37 111.06 21.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HG2' ' CB ' ' A' ' 9' ' ' GLU . 32.0 mtmt -90.61 157.67 17.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.516 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 32.8 m-85 -135.65 -176.53 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.693 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -85.2 -39.95 17.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.9 t -135.16 171.44 14.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' LEU . 19.5 mmtt -67.48 -53.19 30.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.604 ' O ' HG23 ' A' ' 25' ' ' VAL . 75.3 t80 -37.69 -52.53 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.66 ' HE2' HD11 ' A' ' 18' ' ' LEU . 7.3 m-85 -57.72 -37.84 74.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 26' ' ' HIS . 12.6 tp -67.19 -64.46 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 8.8 pttp -43.37 -39.37 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 21' ' ' TYR . 98.3 t -68.96 -30.92 48.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' LEU . 4.8 t60 -82.25 -36.96 26.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.5 t30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.821 0.343 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.424 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 35.3 tt0 -167.0 140.84 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.2 t -58.56 109.6 1.97 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.638 0.732 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 2.51 3.47 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.631 2.22 . . . . 0.0 112.338 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -100.98 -38.14 8.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.2 p -122.49 -44.59 2.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.63 31.89 1.71 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.424 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 1.2 tptm -86.19 105.93 16.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.745 0.307 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.9 p -71.88 147.95 46.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -157.88 127.11 5.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -52.06 -56.6 13.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.57 131.12 35.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -66.37 -36.8 83.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -62.26 -54.51 39.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -44.16 -52.29 7.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.2 tp -55.88 -54.04 49.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.4 mt -43.72 -43.1 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.6 -62.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -39.99 -49.3 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -43.33 -43.09 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.71 -46.02 10.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -53.97 -60.66 3.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.2 t30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 77' ' ' ARG . 28.9 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.84 0.352 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.535 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 11.5 m-85 -114.82 153.2 30.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 89.0 m -117.1 129.67 56.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.435 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.7 t -56.25 173.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.8 t -114.74 4.75 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.452 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 97.6 t -126.5 -47.95 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.4 p -113.91 -0.95 13.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.425 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 50.5 mm-40 57.58 37.18 27.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.599 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.4 tp10 -60.34 -175.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.9 p -126.09 127.0 45.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.599 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 16.1 m-85 -133.9 119.3 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.431 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -52.6 -32.6 42.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.833 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -126.47 170.29 12.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.535 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 6.8 tpt180 -76.37 -60.26 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 79' ' ' ARG . 2.5 tpt -36.4 -49.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -49.77 -47.97 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.48 HD13 ' CE1' ' A' ' 76' ' ' PHE . 19.1 tp -57.31 -38.25 73.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 83' ' ' ARG . 10.8 mmm180 -62.25 -44.19 97.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.0 mt -71.48 -14.8 62.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -88.67 -41.96 12.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.41 -27.16 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.458 HG12 ' CE ' ' A' ' 105' ' ' MET . 4.8 m -53.41 -34.05 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.3 t -65.55 -29.96 70.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.452 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 71.1 m-70 -84.25 -55.2 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 91' ' ' GLY . 7.5 t -68.28 -42.01 80.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.413 ' N ' HG23 ' A' ' 90' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.453 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 86.1 m-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.999 0.428 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -152.89 145.36 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.05 -176.94 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.8 t -123.39 -45.66 2.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.6 m -67.92 -47.94 67.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.524 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 20.0 p -104.25 -16.89 15.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.8 m 67.91 31.95 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.524 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.3 mm-40 -64.44 -173.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.513 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 30.1 mt-30 -142.29 145.3 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 6.0 m-85 -148.18 161.39 41.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.458 ' CE ' HG12 ' A' ' 87' ' ' VAL . 4.7 mmt -96.54 -26.46 15.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -116.76 159.98 21.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 69.2 tttt -74.82 -49.92 18.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 11.3 ptpt -56.9 -36.94 70.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.456 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 3.0 t70 -58.8 -36.09 73.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 24.3 tp -76.71 -51.79 10.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -48.1 -50.6 27.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.454 ' HA ' HD12 ' A' ' 115' ' ' ILE . 3.3 t -61.76 -43.67 98.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -58.32 -37.91 76.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.46 ' O ' ' C ' ' A' ' 118' ' ' HIS . 42.7 mtp -78.95 -24.92 43.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 112' ' ' SER . 19.3 mt -79.43 -30.99 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 112' ' ' SER . 2.2 mptt -86.82 -59.38 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.479 ' N ' HD23 ' A' ' 117' ' ' LEU . 5.0 mt -74.56 -54.89 6.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.46 ' C ' ' O ' ' A' ' 114' ' ' MET . 74.6 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.599 HG21 ' HB2' ' A' ' 23' ' ' LEU . 34.1 m -97.15 175.12 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -145.73 137.76 25.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.9 t -88.8 114.71 61.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.632 0.729 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 5.15 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.331 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 m -100.67 -58.5 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.151 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.2 p -115.21 14.85 17.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 53.04 27.86 6.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -89.85 109.46 20.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -85.15 159.15 20.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 26' ' ' HIS . 60.0 m-85 -137.42 176.47 8.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mp -69.88 -42.17 73.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.1 t -146.01 172.99 12.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.569 ' CD ' HG11 ' A' ' 8' ' ' VAL . 19.6 mmmt -60.1 -45.32 93.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.4 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 75.3 t80 -39.96 -52.22 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -63.84 -30.23 71.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.951 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.599 ' HB2' HG21 ' A' ' 8' ' ' VAL . 45.8 tp -71.15 -59.99 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 17.4 ptpt -48.49 -40.16 25.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.441 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 91.1 t -72.19 -38.16 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' ASN . 5.0 t60 -72.41 -62.84 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 25.0 tt0 -151.52 127.85 10.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.5 t -45.15 110.42 1.09 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.65 0.738 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 1.73 4.16 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.744 2.296 . . . . 0.0 112.365 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -100.69 -47.02 4.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.9 p -110.18 -43.07 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.25 44.31 1.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.517 ' HE2' ' N ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -103.82 101.97 11.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.3 . . . . 0.0 110.859 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.517 ' N ' ' HE2' ' A' ' 43' ' ' LYS . 26.3 p -49.54 171.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.486 ' CD2' ' O ' ' A' ' 44' ' ' CYS . 9.9 m-85 -173.49 126.8 0.41 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -55.0 -47.0 75.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -109.15 152.78 24.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -75.55 -44.13 45.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -48.58 -56.17 9.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -49.91 -47.97 51.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.4 tp -52.19 -46.21 65.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.472 HD23 ' OE2' ' A' ' 55' ' ' GLU . 88.4 mt -53.81 -50.22 66.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -50.43 -44.88 55.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -49.53 74.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.472 ' OE2' HD23 ' A' ' 52' ' ' LEU . 43.5 mt-10 -39.54 -43.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.05 -43.86 11.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -65.24 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.7 t30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.941 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 77' ' ' ARG . 33.9 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.844 0.354 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 21.0 m-85 -118.17 148.85 41.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.9 m -112.18 128.53 56.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.438 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 4.7 t -55.57 173.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.1 t -115.03 4.86 14.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.806 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.461 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 87.1 t -126.18 -48.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.488 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.4 p -113.07 -2.24 14.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.438 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 7.2 mm100 60.5 34.93 20.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.608 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 1.1 tp10 -58.41 -178.58 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.7 p -124.71 126.79 46.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.696 ' CE1' HD13 ' A' ' 82' ' ' LEU . 10.7 m-85 -132.93 118.28 18.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.465 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -53.5 -32.3 49.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 -123.21 168.97 11.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 9.1 tpt180 -76.41 -63.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 79' ' ' ARG . 3.4 tpt -36.59 -47.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -47.96 -52.4 19.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.696 HD13 ' CE1' ' A' ' 76' ' ' PHE . 20.2 tp -54.76 -36.85 65.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -62.43 -44.56 96.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 87' ' ' VAL . 7.2 mt -70.82 -15.99 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.407 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 22.9 t60 -88.2 -40.09 13.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.25 -32.65 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 84' ' ' LEU . 3.9 m -52.4 -32.08 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.141 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.4 p -65.82 -28.84 69.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.461 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 62.8 m-70 -82.71 -55.91 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.2 t -68.9 -38.51 79.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.948 0.404 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.407 ' HG2' ' HG2' ' A' ' 103' ' ' GLN . 9.4 mtmt -152.02 151.54 31.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.1 -175.25 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.8 p -122.9 -45.8 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -69.65 -47.8 62.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.516 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 18.6 p -103.93 -15.39 15.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.5 m 64.66 33.75 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.516 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.0 mm-40 -64.03 -173.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.484 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 35.4 mt-30 -140.51 142.56 35.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 5.6 m-85 -147.26 160.42 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.1 mmt -99.44 -24.56 14.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -116.65 155.6 28.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -71.69 -49.98 34.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 4.7 pttm -56.15 -36.23 68.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.934 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.463 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 7.0 t0 -60.19 -36.96 78.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 24.5 tp -75.94 -49.15 18.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -52.49 -50.81 62.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.412 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 2.4 t -62.64 -38.51 90.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -63.73 -39.44 94.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 118' ' ' HIS . 39.4 mtp -76.57 -32.64 58.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.2 mt -76.98 -29.79 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.412 ' CD ' ' O ' ' A' ' 112' ' ' SER . 3.2 mptt -86.79 -58.28 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 mt -75.43 -55.29 5.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 114' ' ' MET . 75.4 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.607 HG21 ' HB2' ' A' ' 23' ' ' LEU . 34.4 m -99.44 170.49 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 111.153 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -136.57 139.4 42.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -90.95 115.23 63.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.639 0.733 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 5.63 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -101.67 -56.62 2.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 p -117.05 15.38 15.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 51.67 29.04 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.814 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -91.79 113.9 26.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -81.84 161.9 23.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -143.62 169.34 17.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mp -61.09 -53.5 56.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 t -146.34 167.24 24.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' O ' ' C ' ' A' ' 21' ' ' TYR . 2.5 mptp? -43.75 -58.16 2.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.475 ' C ' ' O ' ' A' ' 20' ' ' LYS . 8.8 t80 -32.13 -60.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -55.89 -46.81 78.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.607 ' HB2' HG21 ' A' ' 8' ' ' VAL . 57.4 tp -52.75 -49.13 66.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -54.75 -66.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.7 t -42.84 -38.22 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.403 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 4.7 t60 -69.7 -60.66 2.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.413 ' ND2' ' C ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.848 0.356 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 22.0 tt0 -125.27 148.41 48.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.427 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 4.1 t -64.32 114.51 14.36 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.654 0.74 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -10.91 29.67 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.318 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.411 ' HD3' ' SG ' ' A' ' 38' ' ' CYS . 2.4 mptt -86.81 -46.68 9.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 38' ' ' CYS . 28.3 p -111.59 -47.26 3.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.24 38.48 1.36 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.44 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 13.4 tptm -98.08 118.82 35.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.8 p -78.53 158.45 28.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -160.92 109.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -40.61 -60.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -93.56 120.11 33.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' GLU . 38.2 tttt -46.45 -45.97 18.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' LYS . 23.7 tt0 -36.22 -49.63 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -59.58 -57.18 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.2 tp -45.58 -56.45 5.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.9 mt -43.96 -50.9 8.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -55.25 -66.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -37.58 -48.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.404 ' CD ' ' HG ' ' A' ' 38' ' ' CYS . 20.8 mm-40 -45.92 -43.64 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.24 -48.78 8.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -53.88 -60.5 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 54' ' ' HIS . 19.3 t-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.843 0.354 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 11.1 m-85 -112.51 151.8 29.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 94.5 m -115.49 123.08 47.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.434 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 4.5 t -47.36 175.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.6 p -114.55 4.41 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.476 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 85.5 t -127.36 -47.85 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.129 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.7 p -113.89 0.09 14.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.434 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 6.9 mm100 58.69 32.74 22.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.596 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -53.22 -174.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.869 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.6 p -127.7 126.17 41.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.154 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.596 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 13.5 m-85 -134.61 118.72 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.405 ' CD ' ' H ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -52.2 -32.84 38.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -125.67 167.46 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.55 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 15.9 ttp180 -72.52 -64.79 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 79' ' ' ARG . 4.6 tpt -33.07 -48.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -49.74 -49.03 49.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 79' ' ' ARG . 13.8 tp -55.29 -35.35 64.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -66.48 -45.1 80.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.04 -14.12 62.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -89.54 -42.07 11.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.05 -29.92 9.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.446 HG12 ' CE ' ' A' ' 105' ' ' MET . 5.5 m -49.41 -34.51 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.2 p -68.61 -27.69 66.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.476 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 48.6 m-70 -83.73 -51.89 6.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.5 t -74.16 -30.12 62.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 72.7 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.963 0.411 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.57 152.56 31.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -84.85 -179.03 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 63.5 m -121.47 -44.52 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -69.91 -48.64 57.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.808 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.496 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 22.8 p -102.14 -18.31 15.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.6 m 69.25 30.41 4.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.496 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.6 mm-40 -62.66 -174.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.478 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 33.0 mt-30 -140.87 143.97 35.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 8.0 m-85 -147.17 159.75 43.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.446 ' CE ' HG12 ' A' ' 87' ' ' VAL . 5.1 mmt -95.26 -25.57 16.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -118.25 157.03 27.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 48.8 tttt -71.59 -51.22 24.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 35.8 pttt -55.08 -37.5 66.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 3.0 t70 -58.13 -37.8 75.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.2 tp -75.55 -51.9 11.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -49.28 -50.2 40.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 t -62.84 -40.81 98.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -38.1 84.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 45.6 mtp -78.93 -29.57 44.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.1 mt -78.26 -25.11 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -91.74 -57.38 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.444 ' N ' HD23 ' A' ' 117' ' ' LEU . 5.7 mt -77.09 -54.31 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.897 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.548 HG21 ' HB2' ' A' ' 23' ' ' LEU . 25.4 m -78.4 174.47 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.788 0.328 . . . . 0.0 111.114 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -140.65 145.63 36.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 39.0 t -96.18 115.31 65.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 8.34 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.6 m -105.01 -61.0 1.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 13.3 p -110.52 13.0 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 54.98 28.09 10.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.409 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 30.5 tttp -88.58 122.37 31.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -95.87 154.57 17.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -139.17 172.37 12.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.7 mt -59.99 -58.59 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 m -131.38 165.26 23.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' CG ' ' HE2' ' A' ' 24' ' ' LYS . 1.7 tppp? -56.9 -37.83 71.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -45.46 -54.13 7.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -61.75 -38.87 89.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.548 ' HB2' HG21 ' A' ' 8' ' ' VAL . 32.0 tp -59.05 -56.24 24.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' HE2' ' CG ' ' A' ' 20' ' ' LYS . 50.7 mttm -46.67 -59.1 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.3 t -51.31 -36.61 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.447 ' O ' ' C ' ' A' ' 27' ' ' ASN . 3.9 t60 -69.94 -58.3 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' HIS . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.799 0.333 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.459 ' HG2' ' N ' ' A' ' 38' ' ' CYS . 36.7 tt0 -145.03 160.75 40.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.573 ' HA ' HD11 ' A' ' 51' ' ' LEU . 4.6 t -79.94 112.7 32.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.681 0.753 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 1.02 4.83 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -99.66 -41.47 7.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.8 p -120.08 -40.62 2.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.6 33.31 2.91 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.458 ' HD2' ' CZ ' ' A' ' 45' ' ' TYR . 5.5 tmtm? -94.98 111.74 23.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.1 m -67.59 158.1 32.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.458 ' CZ ' ' HD2' ' A' ' 43' ' ' LYS . 18.8 m-85 -150.1 146.16 26.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -62.06 -54.61 39.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -111.68 150.5 30.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' GLU . 24.2 tttt -56.96 -53.71 54.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' LYS . 3.3 mp0 -37.66 -59.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -47.77 -46.0 29.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.573 HD11 ' HA ' ' A' ' 38' ' ' CYS . 8.1 tp -62.01 -50.58 71.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.1 mt -53.05 -47.98 68.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 56' ' ' ALA . 59.7 mt-10 -58.75 -66.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 53' ' ' GLU . 3.0 t60 -35.61 -42.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -59.79 -48.9 79.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 53' ' ' GLU . . . -75.61 -54.24 7.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -54.14 -61.58 2.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.2 m120 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.95 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 77' ' ' ARG . 29.0 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.878 0.371 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 26.8 m-85 -119.34 147.82 43.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.0 m -110.59 126.2 54.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.432 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.2 t -50.16 176.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 m -117.16 4.58 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.461 HG23 ' HE1' ' A' ' 86' ' ' MET . 92.0 t -127.96 -47.38 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.479 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.6 p -113.54 -0.47 14.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.411 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 5.7 mm100 58.28 34.81 24.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -57.27 -176.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.2 p -125.98 123.27 38.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 74' ' ' GLU . 9.2 m-85 -129.79 117.62 20.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.517 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -52.19 -33.27 40.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -123.66 165.93 16.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.565 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 12.5 tpt180 -72.72 -61.42 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 79' ' ' ARG . 2.6 tpt -35.92 -48.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -48.11 -51.78 23.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.474 HD13 ' CE1' ' A' ' 76' ' ' PHE . 18.5 tp -52.92 -37.11 60.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -64.74 -45.24 87.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.489 ' O ' HG22 ' A' ' 87' ' ' VAL . 6.4 mt -70.57 -16.38 62.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -87.21 -43.3 12.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.461 ' HE1' HG23 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -49.62 -32.54 13.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 84' ' ' LEU . 10.3 m -47.64 -35.92 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -66.38 -30.09 70.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.449 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 59.3 m-70 -81.56 -53.06 6.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.0 t -67.82 -40.35 83.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 83.7 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.965 0.412 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -155.08 146.24 22.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -79.3 -174.59 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.9 m -124.38 -45.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.575 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.3 t -70.73 -49.56 45.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.503 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.3 p -101.47 -15.73 17.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.0 m 66.02 31.98 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.503 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.3 mm-40 -62.32 -174.18 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.553 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 65.6 mt-30 -142.37 143.92 32.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.553 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.0 m-85 -147.11 165.52 29.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.1 mmt -99.87 -26.8 13.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -117.08 157.24 26.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 80.0 tttt -72.26 -50.86 23.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 33.9 pttt -55.58 -38.21 69.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.29 -36.02 72.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.6 tp -76.13 -51.15 12.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -49.29 -50.04 40.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.422 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 2.3 t -62.04 -41.2 97.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -59.42 -38.76 81.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.875 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.454 ' O ' ' C ' ' A' ' 118' ' ' HIS . 42.3 mtp -77.29 -31.66 54.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.2 mt -76.46 -28.75 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.422 ' CD ' ' O ' ' A' ' 112' ' ' SER . 0.5 OUTLIER -86.96 -56.63 3.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.802 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.441 ' N ' HD23 ' A' ' 117' ' ' LEU . 5.9 mt -79.28 -56.13 4.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 95.4 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.73 HG11 ' HD3' ' A' ' 20' ' ' LYS . 26.5 m -82.22 -179.62 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -152.2 148.74 27.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.431 ' C ' ' H ' ' A' ' 12' ' ' THR . 3.5 t -88.25 117.15 68.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.641 0.734 . . . . 0.0 110.85 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 12.34 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.721 2.28 . . . . 0.0 112.334 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.431 ' H ' ' C ' ' A' ' 10' ' ' CYS . 50.6 m -120.71 -58.39 1.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.9 p -100.84 -8.81 22.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 64.19 43.14 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.545 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 14.1 ttmm -103.79 109.31 20.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -77.33 140.22 39.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.545 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 70.9 m-85 -128.0 159.41 35.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.8 mt -49.55 -64.83 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 t -125.34 151.13 46.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.73 ' HD3' HG11 ' A' ' 8' ' ' VAL . 9.1 tppt? -44.87 -46.2 10.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.537 ' O ' HG23 ' A' ' 25' ' ' VAL . 36.7 t80 -37.27 -39.53 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -76.95 -36.88 56.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 20' ' ' LYS . 27.9 tp -67.54 -46.24 73.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -61.95 -38.49 88.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 21' ' ' TYR . 78.6 t -73.07 -38.52 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -70.31 -48.55 56.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.881 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.814 0.34 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.434 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 26.1 tt0 -154.52 156.48 36.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.1 t -76.55 113.05 25.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.582 0.706 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 1.88 4.05 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.623 2.215 . . . . 0.0 112.353 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -98.02 -38.55 9.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.4 p -124.56 -46.32 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.8 46.33 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.434 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 13.6 tptm -102.43 125.12 49.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.73 0.3 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 20.3 p -72.55 147.19 46.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -152.22 116.64 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -44.0 -57.64 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -97.82 149.3 22.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' GLU . 9.3 ttpp -73.94 -53.23 10.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' LYS . 14.6 mm-40 -36.55 -59.02 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -53.25 -46.7 69.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.2 tp -57.09 -52.46 65.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.3 mt -46.86 -40.21 13.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 54' ' ' HIS . 32.8 mt-10 -63.91 -65.17 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' GLU . 2.6 t60 -36.14 -48.7 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -40.26 -45.72 2.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -93.14 -43.47 8.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -54.25 -62.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 77' ' ' ARG . 35.8 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.846 0.355 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 9.9 m-85 -116.07 150.39 37.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.9 m -115.05 130.93 57.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.436 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.7 t -60.72 172.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.4 t -114.84 5.99 15.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.445 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 87.0 t -126.48 -48.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.4 p -114.24 -1.89 13.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 58.03 39.65 26.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.592 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.2 tp10 -64.1 -176.52 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.4 p -127.91 125.68 40.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.592 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 8.2 m-85 -130.84 120.89 24.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.469 ' CD ' ' H ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -56.03 -31.52 63.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.894 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -120.96 174.5 6.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.586 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 4.2 tpt180 -84.76 -54.44 4.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.1 tpt -44.33 -48.95 9.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -47.6 -48.17 28.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.554 HD13 ' CE1' ' A' ' 76' ' ' PHE . 18.7 tp -55.22 -42.97 74.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -58.6 -46.13 87.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.409 ' O ' HG22 ' A' ' 87' ' ' VAL . 6.7 mt -69.18 -13.29 62.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.405 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 30.9 t60 -90.25 -43.52 10.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.809 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -30.93 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 84' ' ' LEU . 7.0 m -50.43 -34.32 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.5 t -65.77 -29.05 69.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.445 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 69.7 m-70 -85.01 -54.65 4.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 91' ' ' GLY . 7.9 t -69.22 -42.77 75.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.432 ' N ' HG23 ' A' ' 90' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.959 0.409 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -154.9 155.26 33.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -88.93 -175.58 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.7 t -123.79 -45.41 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 m -69.77 -51.03 37.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.428 ' SG ' ' HG3' ' A' ' 102' ' ' GLN . 31.8 p -99.32 -21.77 15.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 6.7 m 74.93 27.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.528 ' OE1' ' CZ ' ' A' ' 104' ' ' PHE . 1.2 mt-30 -60.3 -173.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.555 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 72.5 mt-30 -140.0 152.63 46.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 9.3 m-85 -158.93 156.23 29.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.8 mtm -103.1 -20.22 14.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -117.83 144.72 45.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -56.34 -57.52 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 16.4 pttm -52.58 -37.09 57.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.478 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 36.1 t0 -56.11 -38.97 71.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.454 HD13 ' CE1' ' A' ' 104' ' ' PHE . 24.1 tp -83.17 -56.43 3.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -48.13 -49.86 30.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -63.25 -39.55 94.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.97 -40.7 89.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 118' ' ' HIS . 47.7 mtp -75.38 -28.8 59.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 19.1 mt -78.84 -27.67 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.165 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -90.73 -56.23 3.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 117' ' ' LEU . 5.5 mt -76.69 -54.11 7.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 114' ' ' MET . 75.8 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.442 HG11 ' HG2' ' A' ' 20' ' ' LYS . 29.6 m -86.57 -175.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -145.7 129.96 17.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 14' ' ' HIS . 42.4 t -79.83 112.93 33.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.654 0.74 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 3.01 3.01 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -98.55 -52.88 3.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.416 ' SG ' ' CB ' ' A' ' 15' ' ' LYS . 27.9 p -121.5 14.82 11.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 10' ' ' CYS . 56.0 m-70 54.19 25.0 5.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' HG2' ' CZ ' ' A' ' 17' ' ' PHE . 1.1 ttmp? -88.86 109.67 20.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -79.73 158.81 26.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.423 ' CZ ' ' HG2' ' A' ' 15' ' ' LYS . 73.7 m-85 -139.36 179.27 6.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 mp -68.04 -48.1 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.2 t -147.77 169.57 19.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' LEU . 2.7 mmmm -52.35 -49.0 65.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.596 ' O ' HG23 ' A' ' 25' ' ' VAL . 8.7 t80 -36.72 -43.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -70.8 -40.62 72.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.961 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 20' ' ' LYS . 65.9 tp -65.49 -52.51 52.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.417 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 3.2 ptpp? -59.88 -23.4 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 21' ' ' TYR . 69.5 t -93.11 -23.14 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -93.76 -19.94 20.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.401 ' CD2' ' HB2' ' A' ' 48' ' ' LYS . 74.1 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 32.5 tt0 -166.79 138.36 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.543 ' CA ' HD11 ' A' ' 51' ' ' LEU . 4.4 t -53.49 110.18 1.9 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 54.1 Cg_endo -69.67 1.68 4.16 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.275 . . . . 0.0 112.37 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -100.4 -41.52 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.2 p -117.9 -42.25 2.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.56 40.45 1.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.408 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -98.68 123.27 42.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.727 0.299 . . . . 0.0 110.907 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.544 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 26.3 p -66.64 158.93 28.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 44' ' ' CYS . 23.8 m-85 -163.98 110.74 1.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -44.86 -50.93 10.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -104.38 120.83 42.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HB2' ' CD2' ' A' ' 36' ' ' PHE . 69.5 tttt -51.6 -48.69 63.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -40.28 -58.87 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -50.08 -56.99 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.543 HD11 ' CA ' ' A' ' 38' ' ' CYS . 35.6 tp -43.32 -59.07 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.2 mt -42.61 -43.63 3.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -63.47 -40.59 97.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -58.26 -52.85 63.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.817 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -39.52 -45.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.15 -47.08 13.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -54.46 -64.29 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.0 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.867 0.365 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -109.36 165.25 11.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 92.3 m -127.79 128.32 45.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.418 ' SG ' ' CE ' ' A' ' 86' ' ' MET . 6.5 t -58.33 170.28 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.2 t -113.27 6.91 17.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.44 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 60.1 t -125.24 -49.17 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.9 p -112.36 -6.13 14.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 63.23 35.85 12.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 3.2 tp10 -60.42 -178.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.8 p -125.47 126.64 45.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 9.7 m-85 -128.81 157.53 41.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -93.43 -30.48 15.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.408 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 23.3 mtt180 -127.04 163.58 23.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -67.74 -56.28 9.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.404 ' HE2' ' HB2' ' A' ' 83' ' ' ARG . 4.6 tpt -44.78 -50.06 10.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -44.28 -50.03 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.469 HD13 ' CE1' ' A' ' 76' ' ' PHE . 26.0 tp -59.25 -37.86 78.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.404 ' HB2' ' HE2' ' A' ' 80' ' ' MET . 17.4 mmm180 -63.02 -40.15 96.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 mt -74.72 -14.19 60.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.403 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 21.4 t60 -91.94 -41.44 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.418 ' CE ' ' SG ' ' A' ' 69' ' ' CYS . 0.1 OUTLIER -51.35 -33.17 28.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.1 m -50.07 -33.81 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.2 p -65.26 -30.07 70.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.44 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 61.9 m-70 -82.02 -54.47 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.508 HG23 ' N ' ' A' ' 91' ' ' GLY . 6.2 t -68.02 -47.85 67.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.508 ' N ' HG23 ' A' ' 90' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.547 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 85.9 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.971 0.415 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -156.62 147.71 22.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.5 t -81.17 -175.52 5.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.4 t -123.98 -47.4 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -67.1 -50.12 62.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.435 ' SG ' ' HG3' ' A' ' 102' ' ' GLN . 31.3 p -99.05 -24.15 15.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m 74.54 30.54 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.435 ' HG3' ' SG ' ' A' ' 100' ' ' CYS . 1.8 mt-30 -65.75 -175.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.615 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 31.5 mt-30 -139.72 149.51 43.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.615 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.0 m-85 -148.86 161.1 42.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.7 mmt -96.0 -27.62 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -117.17 159.52 22.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.547 ' HG3' ' CE1' ' A' ' 95' ' ' TYR . 6.5 ttpp -71.26 -59.45 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.406 ' CD ' ' H ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -49.79 -35.47 22.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -57.62 -38.04 74.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.4 tp -77.63 -52.04 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -47.18 -49.94 21.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.454 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 1.4 t -63.53 -41.12 98.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.16 -39.42 82.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 118' ' ' HIS . 47.9 mtp -76.65 -30.71 56.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 19.1 mt -77.49 -28.56 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.454 ' CD ' ' O ' ' A' ' 112' ' ' SER . 1.1 mptm? -87.21 -57.57 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.494 ' N ' HD23 ' A' ' 117' ' ' LEU . 4.8 mt -76.52 -55.56 5.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' MET . 69.2 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.428 HG11 ' HG3' ' A' ' 20' ' ' LYS . 27.6 m -77.11 -177.47 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 111.118 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -143.77 134.2 24.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.9 t -83.14 114.51 53.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.647 0.736 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 5.05 1.84 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -99.66 -52.84 3.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.4 p -122.94 13.46 9.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 57.41 24.96 10.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.414 ' HG2' ' CZ ' ' A' ' 17' ' ' PHE . 25.2 ttmt -88.71 113.62 24.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -82.55 162.54 21.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.433 ' CZ ' ' CG ' ' A' ' 26' ' ' HIS . 88.3 m-85 -143.82 175.57 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.3 mt -70.53 -57.31 4.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.9 t -129.33 163.45 25.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HG3' HG11 ' A' ' 8' ' ' VAL . 4.1 mppt? -58.23 -31.49 67.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.451 ' O ' HG23 ' A' ' 25' ' ' VAL . 54.3 t80 -52.1 -38.7 58.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -79.22 -29.75 42.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.96 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.3 tp -70.71 -47.93 57.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -61.13 -39.59 90.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 21' ' ' TYR . 86.7 t -73.23 -41.41 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.433 ' CG ' ' CZ ' ' A' ' 17' ' ' PHE . 4.2 t60 -67.18 -41.93 85.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.6 t30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.5 ' HB3' HD22 ' A' ' 51' ' ' LEU . 64.0 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.788 0.328 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 44' ' ' CYS . 40.4 tt0 -165.6 150.52 8.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.1 t -68.9 113.36 15.67 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.717 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.22 4.66 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -101.03 -45.68 5.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.8 p -113.38 -39.59 4.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.54 38.94 2.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.526 ' HD3' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -99.01 100.25 11.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.732 0.301 . . . . 0.0 110.925 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.534 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 25.9 p -44.63 167.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.534 ' CG ' ' O ' ' A' ' 44' ' ' CYS . 9.7 m-85 -175.25 111.04 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.99 -41.22 97.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -85.84 112.49 21.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -49.55 -56.54 9.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -47.37 -57.21 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -46.5 -48.6 19.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.5 HD22 ' HB3' ' A' ' 36' ' ' PHE . 31.9 tp -55.36 -53.37 57.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 74.0 mt -54.59 -42.19 70.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 56' ' ' ALA . 19.2 mt-10 -61.41 -64.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.5 OUTLIER -35.58 -46.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.19 -45.52 53.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' GLU . . . -83.3 -49.42 9.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.055 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -64.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.914 0.388 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -108.63 168.13 9.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.0 m -132.03 124.98 30.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 7.3 t -56.17 169.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.9 t -112.9 5.7 17.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.572 HG11 ' ND1' ' A' ' 89' ' ' HIS . 98.4 t -123.29 -48.88 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.8 p -112.91 -6.24 13.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 63.47 35.63 11.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.595 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.8 tp10 -59.6 -178.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.3 p -126.89 127.54 45.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.595 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 9.4 m-85 -130.21 158.16 40.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -91.16 -32.3 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 69.6 mtt180 -127.61 160.25 32.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -62.36 -61.35 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.451 ' HE2' ' HB2' ' A' ' 83' ' ' ARG . 1.5 tpt -38.86 -50.8 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -43.63 -50.13 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.522 HD13 ' CE1' ' A' ' 76' ' ' PHE . 21.3 tp -55.28 -42.81 74.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.451 ' HB2' ' HE2' ' A' ' 80' ' ' MET . 5.3 mmp_? -58.6 -51.76 68.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.404 ' O ' HG22 ' A' ' 87' ' ' VAL . 5.6 mt -60.61 -19.17 57.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -89.62 -42.08 11.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -50.79 -34.11 26.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 84' ' ' LEU . 4.4 m -48.93 -33.27 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 m -66.34 -29.65 69.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.572 ' ND1' HG11 ' A' ' 71' ' ' VAL . 68.1 m-70 -83.3 -54.37 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 t -67.2 -40.59 86.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.949 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 87.0 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.905 0.383 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -153.21 147.82 26.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.61 -178.24 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 t -118.42 -46.46 2.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.1 t -68.82 -54.38 16.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 32.0 p -94.11 -21.39 19.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.5 m 69.89 27.88 4.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -63.27 -175.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.517 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 34.9 mt-30 -136.81 152.04 49.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 5.4 m-85 -149.66 160.22 43.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.8 mmt -97.35 -26.36 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -122.61 151.84 41.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 20.3 tttp -64.74 -49.04 72.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -58.02 -27.19 63.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.28 -32.44 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.435 HD13 ' CE1' ' A' ' 104' ' ' PHE . 16.5 tp -80.49 -48.82 12.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -51.38 -52.3 47.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.408 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 2.9 t -61.53 -36.56 80.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -39.91 95.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 118' ' ' HIS . 38.4 mtp -75.86 -26.6 57.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.9 mt -80.64 -27.43 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 112' ' ' SER . 5.5 mptt -90.24 -59.29 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.2 mt -73.42 -52.58 13.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' MET . 84.2 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.6 m -66.81 167.74 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -135.92 136.9 40.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.0 t -85.8 115.55 62.12 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 4.8 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.364 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -100.06 -54.57 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.101 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.2 p -119.68 12.97 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 54.84 28.21 10.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.472 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 10.2 ttmm -90.05 110.7 21.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -85.46 158.88 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.472 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 56.0 m-85 -138.2 -179.58 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.429 HD12 ' H ' ' A' ' 18' ' ' LEU . 5.8 mp -73.56 -52.34 13.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.52 173.99 11.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -59.38 -47.63 84.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -38.07 -53.77 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -59.38 -50.84 72.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.6 tp -53.51 -41.4 66.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -62.72 -51.01 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.4 -34.91 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.484 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 4.3 t60 -73.36 -63.54 1.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.484 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.556 ' CE2' ' HE3' ' A' ' 48' ' ' LYS . 84.5 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.79 0.328 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.425 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 49.4 tt0 -158.49 128.83 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.527 ' HA ' HD11 ' A' ' 51' ' ' LEU . 4.3 t -47.8 110.92 1.5 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.605 0.716 . . . . 0.0 110.833 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 0.54 5.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.391 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -97.96 -42.08 7.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.9 p -117.75 -47.0 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.64 36.01 0.94 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.425 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 13.8 tptm -93.72 114.86 27.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.2 p -68.58 149.43 49.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -155.04 119.4 4.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -51.01 -55.43 17.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -97.64 134.25 41.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.556 ' HE3' ' CE2' ' A' ' 36' ' ' PHE . 14.3 ttmt -59.52 -46.07 89.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -39.58 -60.67 0.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -50.88 -55.16 18.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.527 HD11 ' HA ' ' A' ' 38' ' ' CYS . 23.5 tp -47.1 -58.9 3.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.7 mt -48.91 -42.71 37.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.13 -48.14 83.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -54.02 -38.71 65.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -55.47 -63.46 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.23 -49.24 70.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -53.49 -63.32 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.5 t30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.934 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.906 0.384 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 10.4 m-85 -112.66 151.28 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 96.0 m -115.11 127.93 55.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.429 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 5.8 t -56.86 171.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.0 t -112.43 5.96 18.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.496 HG11 ' ND1' ' A' ' 89' ' ' HIS . 90.9 t -126.43 -48.7 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 27.2 p -113.78 -2.41 13.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.429 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 36.9 mm-40 60.08 35.01 21.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.597 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -58.79 -175.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.1 p -127.19 127.47 44.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.597 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 8.4 m-85 -133.6 118.47 18.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.413 ' CD ' ' H ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -51.69 -33.9 36.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.405 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 14.8 mtp180 -124.59 169.55 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.556 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 12.3 tpt180 -75.42 -59.78 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' ARG . 2.9 tpt -37.3 -49.12 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -48.37 -48.69 36.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.528 HD13 ' CE1' ' A' ' 76' ' ' PHE . 25.6 tp -56.43 -38.49 71.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -62.41 -44.67 95.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.06 -13.84 62.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -90.73 -41.99 10.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.11 -32.39 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.413 HG12 ' CE ' ' A' ' 105' ' ' MET . 10.4 m -48.24 -35.35 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.091 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.7 m -65.79 -29.5 70.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.496 ' ND1' HG11 ' A' ' 71' ' ' VAL . 64.6 m-70 -83.92 -55.16 4.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 91' ' ' GLY . 7.8 t -65.77 -43.66 88.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.437 ' N ' HG23 ' A' ' 90' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.919 0.39 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -150.41 149.04 29.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -81.79 -174.44 5.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.9 p -122.97 -46.01 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.466 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.8 t -70.25 -48.24 57.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.868 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.511 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 19.8 p -102.62 -17.55 15.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.848 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.4 m 66.42 35.35 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.511 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.4 mm-40 -64.97 -174.75 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -140.79 140.46 34.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 6.2 m-85 -144.93 157.29 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.413 ' CE ' HG12 ' A' ' 87' ' ' VAL . 11.0 mmt -94.27 -26.58 16.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -116.74 154.35 30.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -67.29 -51.01 57.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 9.2 ptpp? -55.51 -39.91 71.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 6.9 t0 -55.44 -36.65 66.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' A' ' 104' ' ' PHE . 19.2 tp -80.71 -49.34 11.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -49.75 -52.02 34.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.7 t -62.75 -41.67 99.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -57.67 -37.72 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.464 ' O ' ' C ' ' A' ' 118' ' ' HIS . 38.6 mtp -80.6 -26.04 38.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.5 mt -80.19 -29.22 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.63 -59.09 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.449 ' N ' HD23 ' A' ' 117' ' ' LEU . 4.7 mt -76.69 -54.63 6.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.466 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 92.4 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.9 m -93.46 169.02 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 0.0 111.095 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.401 ' OE2' ' HE2' ' A' ' 16' ' ' LYS . 27.5 tt0 -139.81 131.93 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.2 t -78.7 114.85 47.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.649 0.738 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 5.05 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.739 2.292 . . . . 0.0 112.351 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 m -100.43 -54.42 2.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 25.3 p -121.81 17.1 11.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 52.97 25.83 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 32.1 tttt -85.25 106.86 16.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HE2' ' OE2' ' A' ' 9' ' ' GLU . 41.5 mttt -79.68 160.6 26.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.44 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 63.5 m-85 -139.91 -178.2 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.674 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -85.43 -39.85 17.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -135.77 174.26 10.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.43 -48.78 38.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.614 ' O ' HG23 ' A' ' 25' ' ' VAL . 74.6 t80 -39.49 -43.58 1.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.621 ' HE2' HD11 ' A' ' 18' ' ' LEU . 8.3 m-85 -69.22 -39.61 78.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' LYS . 27.3 tp -62.51 -54.17 43.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 18.3 ptmt -56.33 -43.63 79.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 21' ' ' TYR . 80.1 t -66.7 -39.79 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -67.15 -49.73 63.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.888 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.79 0.328 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 44' ' ' CYS . 35.7 tt0 -160.93 134.89 6.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 33.9 t -54.07 113.12 4.57 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.617 0.723 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 54.1 Cg_endo -69.72 -3.08 11.27 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.52 -41.55 10.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.937 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.7 p -119.66 -47.7 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.04 26.37 2.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -83.05 105.87 14.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 6.1 p -69.07 151.7 46.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -154.4 129.81 9.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -53.24 -54.15 40.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.25 145.86 27.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HD2' HD23 ' A' ' 51' ' ' LEU . 46.9 tptt -67.07 -42.36 84.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -42.93 -66.1 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -46.93 -48.48 21.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.468 HD23 ' HD2' ' A' ' 48' ' ' LYS . 54.4 tp -55.79 -50.01 71.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.2 mt -51.44 -45.94 62.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 54' ' ' HIS . 43.0 mt-10 -58.2 -65.44 0.65 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -35.45 -57.48 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' HIS . 5.1 mm-40 -34.37 -44.22 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.15 -41.3 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -54.22 -61.07 2.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.2 t30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.406 ' CB ' ' O ' ' A' ' 76' ' ' PHE . 6.8 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.874 0.368 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 12.1 m-85 -110.5 155.41 22.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 85.0 m -121.42 127.14 50.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.134 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.4 t -58.61 170.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.2 t -112.91 2.99 16.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.443 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 62.0 t -121.49 -48.45 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.441 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.4 p -113.22 -4.26 13.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 60.5 36.94 19.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 3.2 tp10 -59.25 -178.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.1 p -128.22 123.38 34.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.185 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 11.5 m-85 -125.97 161.44 27.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -95.9 -31.97 12.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.438 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 38.6 mtt-85 -123.49 158.68 30.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 6.6 ttp-105 -65.74 -62.26 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.1 tpt -38.86 -47.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -46.63 -50.62 17.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.456 HD13 ' CE1' ' A' ' 76' ' ' PHE . 29.1 tp -55.77 -37.88 69.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -62.4 -43.15 99.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 87' ' ' VAL . 7.1 mt -72.25 -13.34 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -90.92 -43.38 10.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -53.19 -34.75 58.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 84' ' ' LEU . 4.2 m -50.33 -32.52 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.9 p -70.12 -28.12 65.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.443 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 29.5 m-70 -79.68 -47.17 15.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.4 t -76.58 -35.8 57.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.499 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 88.9 m-85 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.92 0.391 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -153.99 149.0 26.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.08 -175.47 5.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.9 p -120.49 -47.56 2.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.501 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.6 t -67.66 -52.67 35.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 30.6 p -94.96 -26.05 16.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t 74.97 26.45 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -62.34 -175.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.539 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 35.2 mt-30 -137.11 152.23 49.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.539 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 8.0 m-85 -151.4 155.71 39.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.2 mmt -92.87 -26.14 17.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -114.86 165.46 12.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 20.3 ttmt -81.9 -47.52 12.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -32.4 70.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -62.04 -37.69 85.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.2 tp -75.76 -52.23 10.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -48.69 -50.5 33.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.444 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 2.2 t -65.01 -35.7 82.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.834 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.8 -39.2 93.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 118' ' ' HIS . 44.7 mtp -77.2 -28.79 53.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 16.9 mt -78.96 -23.36 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.444 ' CD ' ' O ' ' A' ' 112' ' ' SER . 2.4 mptp? -95.97 -56.74 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.3 mt -75.66 -45.15 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.501 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 96.3 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 m -99.21 168.6 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -137.25 145.75 43.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.4 t -94.28 116.43 66.41 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.63 0.729 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 8.67 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.334 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -104.42 -55.56 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.9 p -118.93 15.35 13.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 50.25 34.79 9.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -95.59 112.15 23.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -82.91 155.72 23.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -133.63 172.37 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.693 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -80.56 -39.42 27.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.4 p -135.73 159.8 40.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 21' ' ' TYR . 3.0 mppt? -57.25 -57.19 13.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.468 ' C ' ' O ' ' A' ' 20' ' ' LYS . 32.2 t80 -32.44 -62.53 0.23 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.653 ' HE2' HD11 ' A' ' 18' ' ' LEU . 7.3 m-85 -47.68 -53.02 16.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.9 tp -48.4 -50.44 30.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.53 -65.7 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.2 t -45.5 -29.92 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -77.01 -55.19 5.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.416 ' C ' ' ND2' ' A' ' 27' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.818 0.342 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.416 ' OE2' ' O ' ' A' ' 42' ' ' GLY . 61.1 tt0 -154.77 127.32 7.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.514 ' CA ' HD11 ' A' ' 51' ' ' LEU . 3.8 t -42.21 110.32 0.81 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.636 0.731 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 0.35 5.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.28 . . . . 0.0 112.326 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -98.15 -46.12 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.4 p -112.17 -45.07 3.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.416 ' O ' ' OE2' ' A' ' 37' ' ' GLU . . . 111.14 42.96 1.04 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.59 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 6.0 tmtt? -100.98 109.83 21.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.731 0.301 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 75.5 m -61.05 153.91 24.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.59 ' CE2' ' HD2' ' A' ' 43' ' ' LYS . 16.8 m-85 -153.11 139.9 19.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -50.42 -58.26 6.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -116.24 164.59 14.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -71.38 -52.44 18.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -38.81 -54.39 1.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -54.93 -50.65 68.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.514 HD11 ' CA ' ' A' ' 38' ' ' CYS . 24.9 tp -48.76 -51.15 30.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.8 mt -50.47 -44.32 55.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -55.55 -38.25 69.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -69.15 -52.07 31.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -43.49 -42.97 5.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.74 -48.17 9.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -56.39 -63.58 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.412 ' OD1' ' C ' ' A' ' 58' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.879 0.371 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -111.61 161.09 16.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.3 m -126.28 129.51 49.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.136 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.472 ' SG ' ' CE ' ' A' ' 86' ' ' MET . 7.4 t -61.73 169.64 2.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.7 t -111.46 -1.05 16.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.473 HG11 ' ND1' ' A' ' 89' ' ' HIS . 95.0 t -115.43 -50.21 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.5 p -111.85 -6.34 14.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.404 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 14.1 mm100 63.73 32.82 13.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.599 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.4 tp10 -56.35 -179.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.6 p -126.34 127.0 44.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.599 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 6.4 m-85 -128.47 178.94 5.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.26 -31.42 4.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -122.76 150.86 42.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.444 HH21 HD23 ' A' ' 82' ' ' LEU . 3.5 tpm_? -57.97 -56.54 20.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.446 ' HE2' ' HB2' ' A' ' 83' ' ' ARG . 4.6 tpt -46.04 -53.31 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -40.92 -53.21 2.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.546 HD13 ' CE1' ' A' ' 76' ' ' PHE . 24.7 tp -55.88 -39.7 71.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.446 ' HB2' ' HE2' ' A' ' 80' ' ' MET . 23.9 mmt180 -62.01 -40.12 94.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.2 mt -73.41 -14.69 61.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.406 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 21.8 t60 -91.64 -42.9 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.472 ' CE ' ' SG ' ' A' ' 69' ' ' CYS . 0.1 OUTLIER -50.23 -36.79 32.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.406 ' H ' HG13 ' A' ' 87' ' ' VAL . 3.3 m -49.04 -35.53 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.177 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.2 t -62.26 -31.13 71.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.473 ' ND1' HG11 ' A' ' 71' ' ' VAL . 57.9 m-70 -77.58 -32.58 53.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.6 t -107.28 24.15 13.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.966 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 77.7 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.966 0.412 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -152.87 145.67 24.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -79.44 -175.84 4.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.2 t -123.19 -44.31 2.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -70.44 -47.26 61.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.505 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 20.7 p -103.67 -18.07 14.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.0 m 66.81 36.91 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.505 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.8 mm-40 -68.43 -174.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -142.11 140.62 32.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 5.3 m-85 -142.72 161.63 37.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.9 mmt -95.94 -27.76 15.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -117.06 154.66 30.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 80.9 tttt -67.95 -51.27 49.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.8 -38.78 67.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -55.77 -38.44 69.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.3 tp -75.68 -52.27 10.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -48.2 -50.16 30.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -63.31 -40.41 97.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -59.72 -40.14 87.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.457 ' O ' ' C ' ' A' ' 118' ' ' HIS . 40.0 mtp -77.66 -28.93 51.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 21.0 mt -77.89 -28.14 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -88.08 -58.1 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.423 ' N ' HD23 ' A' ' 117' ' ' LEU . 5.6 mt -78.05 -54.66 6.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 114' ' ' MET . 42.1 m80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 m -49.89 133.31 22.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -129.7 163.6 25.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.823 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.91 -145.89 6.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -158.94 171.92 19.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 t -40.76 127.73 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.84 179.4 39.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.721 HG11 ' HD3' ' A' ' 20' ' ' LYS . 35.8 m -73.71 -175.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.154 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -153.5 140.37 19.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.404 ' C ' ' H ' ' A' ' 12' ' ' THR . 8.2 t -81.44 117.1 66.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.636 0.731 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 9.87 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.409 HG21 ' CG ' ' A' ' 30' ' ' HIS . 79.9 m -114.09 -59.46 2.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.5 p -100.62 -12.98 18.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 72.6 m-70 69.47 44.07 0.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -107.97 110.1 21.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -74.09 152.2 39.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -133.35 178.77 6.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.691 HD21 ' HE2' ' A' ' 22' ' ' TYR . 1.9 pp -80.59 -36.4 32.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.449 ' HB2' HD12 ' A' ' 18' ' ' LEU . 41.1 t -144.32 144.57 31.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.721 ' HD3' HG11 ' A' ' 8' ' ' VAL . 7.6 tppt? -48.17 -46.15 34.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' LYS . 15.9 t80 -36.6 -59.82 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.691 ' HE2' HD21 ' A' ' 18' ' ' LEU . 25.3 m-85 -59.0 -46.1 89.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.948 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.705 HD22 ' CG2' ' A' ' 8' ' ' VAL . 38.7 tp -52.39 -50.52 62.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -55.83 -64.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.466 ' O ' ' CG ' ' A' ' 28' ' ' ARG . 58.1 t -49.17 -31.54 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -69.93 -43.81 70.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.44 ' C ' ' ND2' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -62.95 -23.97 67.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.466 ' CG ' ' O ' ' A' ' 25' ' ' VAL . 7.7 mmt85 -36.45 -42.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 30' ' ' HIS . 62.0 mmtt -65.21 -61.78 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 29' ' ' LYS . 20.4 m-70 -33.74 -60.04 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.8 t -64.86 143.3 58.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.103 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.39 101.46 2.65 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.458 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -44.92 144.85 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.951 0.405 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.418 ' HG3' ' CB ' ' A' ' 44' ' ' CYS . 33.1 mmtm -135.82 148.92 67.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.587 0.708 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -51.27 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.388 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.44 ' HB3' HD22 ' A' ' 51' ' ' LEU . 89.3 m-85 -136.2 166.79 22.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.454 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 34.4 tt0 -164.48 130.61 2.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.593 ' HA ' HD11 ' A' ' 51' ' ' LEU . 6.9 t -44.92 112.05 1.41 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.674 0.75 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -2.37 10.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -95.78 -45.84 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.443 ' CB ' ' HB2' ' A' ' 60' ' ' MET . 30.3 p -111.91 -46.01 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.14 37.32 1.25 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.455 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 2.9 tmtt? -95.7 111.78 23.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 29.7 p -66.17 133.66 51.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.466 ' CD2' ' HA ' ' A' ' 51' ' ' LEU . 5.2 m-85 -134.9 100.87 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' TYR . 9.5 t80 -37.09 -53.45 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -93.03 133.32 36.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -58.55 -51.93 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.429 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 30.6 mp0 -42.63 -50.99 5.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -56.34 -45.54 80.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.593 HD11 ' HA ' ' A' ' 38' ' ' CYS . 17.5 tp -54.69 -54.32 43.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.982 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 55' ' ' GLU . 73.2 mt -51.65 -56.1 15.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 54' ' ' HIS . 60.5 mt-10 -48.04 -66.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.48 ' CD2' ' N ' ' A' ' 55' ' ' GLU . 3.6 t60 -34.86 -61.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.48 ' N ' ' CD2' ' A' ' 54' ' ' HIS . 2.8 mm-40 -34.51 -44.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.04 -47.38 10.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -53.7 -60.94 2.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.422 ' O ' ' CE1' ' A' ' 54' ' ' HIS . 9.0 m120 -161.93 148.63 13.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 60' ' ' MET . 3.9 t -145.13 174.07 11.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 59' ' ' CYS . 39.6 ttp -34.23 129.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 62' ' ' ARG . 3.8 t-20 -172.16 116.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 61' ' ' ASN . 17.6 ttp180 -34.53 103.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.38 158.01 20.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.535 ' O ' HG13 ' A' ' 66' ' ' VAL . 27.5 tt0 -53.94 144.78 17.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -53.57 107.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 64' ' ' GLU . 30.6 m -116.44 173.03 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 50.3 m-85 -120.73 150.51 40.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.9 m -117.74 130.93 56.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.419 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 3.7 t -57.77 177.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.8 t -119.04 0.64 11.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.442 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 60.9 t -121.29 -47.24 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.4 p -113.38 -3.15 13.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 59.42 38.69 22.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.596 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.4 tp10 -62.5 -173.55 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.2 p -131.35 128.21 39.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.596 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 12.8 m-85 -137.64 116.5 12.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.521 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -63.85 -13.04 41.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.434 ' HG3' ' CD ' ' A' ' 77' ' ' ARG . 51.1 mtp85 -123.66 160.73 26.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 8.6 tpt180 -81.16 -51.31 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.418 ' HE2' ' HB2' ' A' ' 83' ' ' ARG . 3.7 tpt -51.43 -47.18 63.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.405 ' HG2' ' HB2' ' A' ' 78' ' ' ARG . 58.5 mm-40 -44.75 -55.36 5.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.451 HD13 ' CE1' ' A' ' 76' ' ' PHE . 46.2 tp -50.39 -44.28 54.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.418 ' HB2' ' HE2' ' A' ' 80' ' ' MET . 8.9 mmm180 -58.68 -42.91 89.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.3 mt -74.63 -13.56 60.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -90.81 -41.96 10.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.483 ' HA ' ' HE3' ' A' ' 86' ' ' MET . 0.0 OUTLIER -50.83 -35.91 34.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 m -50.63 -36.48 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.0 m -60.44 -30.59 69.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.442 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 70.1 m-70 -78.57 -36.9 43.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.4 t -106.91 28.53 7.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.81 -68.67 2.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -151.1 169.49 21.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.916 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.487 ' CG ' ' HB3' ' A' ' 103' ' ' GLN . 3.2 mtt -50.32 154.03 2.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -31.62 20.37 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -118.21 148.58 42.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -147.28 155.89 42.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.414 ' SG ' ' SD ' ' A' ' 114' ' ' MET . 1.2 t -86.72 -176.12 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.4 m -124.49 -43.27 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -70.06 -48.5 57.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.5 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 22.3 p -104.2 -21.92 13.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t 74.92 30.69 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.5 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.8 mm100 -63.8 -174.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.487 ' HB3' ' CG ' ' A' ' 93' ' ' MET . 64.4 mt-30 -138.57 143.69 39.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 6.5 m-85 -146.75 163.03 37.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.0 mmt -98.89 -25.97 14.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -116.87 153.31 32.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -68.57 -49.71 57.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -57.06 -38.81 73.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.84 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -56.98 -36.34 70.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.5 tp -76.73 -53.29 8.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -48.97 -50.75 34.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.8 t -61.65 -40.68 95.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.729 ' CE1' HD12 ' A' ' 117' ' ' LEU . 5.5 t60 -59.97 -35.1 74.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.414 ' SD ' ' SG ' ' A' ' 97' ' ' CYS . 31.3 mtp -85.1 -15.68 43.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 115' ' ' ILE . 27.9 mt -93.31 -12.85 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.491 ' O ' ' CA ' ' A' ' 120' ' ' GLY . 0.3 OUTLIER -114.23 -57.61 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.729 HD12 ' CE1' ' A' ' 113' ' ' HIS . 6.0 mt -67.26 -46.1 74.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.403 ' HB2' ' O ' ' A' ' 114' ' ' MET . 78.3 m-70 -90.44 -27.65 19.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.67 43.99 2.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 116' ' ' LYS . . . -79.82 172.14 54.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -2.53 10.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.8 t -108.13 160.51 15.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 91.8 p -103.83 42.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.485 -179.932 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.8 p -79.27 111.85 15.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.821 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 p -136.21 120.57 18.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.45 -144.81 12.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -98.6 150.92 21.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 0.0 110.903 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -154.41 177.87 10.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.98 177.47 34.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.618 HG21 ' HB2' ' A' ' 23' ' ' LEU . 29.7 m -81.18 172.66 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 0.0 111.155 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -145.53 136.8 24.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' HIS . 43.4 t -85.32 114.72 57.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.586 0.708 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 4.48 2.17 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -101.17 -51.75 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 26.6 p -118.75 6.49 11.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 10' ' ' CYS . 67.6 m-70 60.14 25.33 14.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.567 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 58.9 tttt -86.42 113.16 22.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -90.1 158.26 17.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.567 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 30.3 m-85 -137.79 -177.87 5.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.7 mt -67.99 -50.67 54.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.3 t -137.7 -176.51 4.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -69.4 -37.81 77.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -51.44 -56.31 13.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -53.77 -40.81 66.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.618 ' HB2' HG21 ' A' ' 8' ' ' VAL . 20.9 tp -57.76 -59.57 5.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -41.99 -61.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.429 ' HA ' ' NE ' ' A' ' 28' ' ' ARG . 84.3 t -49.25 -35.55 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 27' ' ' ASN . 4.0 t60 -72.48 -59.3 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' ARG . 2.1 t30 -35.2 -44.96 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' ASN . 94.9 mtt180 -33.69 -45.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -45.1 -56.74 4.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -58.8 -37.42 76.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 31' ' ' THR . 12.5 t -158.23 126.9 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.77 68.98 3.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 34' ' ' LYS . 12.9 mt-10 -86.93 159.29 19.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.931 0.396 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 33' ' ' GLU . 0.9 OUTLIER -33.21 98.82 0.14 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.586 ' HG2' ' CE1' ' A' ' 36' ' ' PHE . 53.9 Cg_endo -69.74 6.09 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.712 2.274 . . . . 0.0 112.377 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.586 ' CE1' ' HG2' ' A' ' 35' ' ' PRO . 66.1 m-85 -130.63 169.98 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 44' ' ' CYS . 39.4 tt0 -172.45 130.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.458 ' CA ' HD11 ' A' ' 51' ' ' LEU . 5.7 t -52.24 112.73 3.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 53.5 Cg_endo -69.74 1.56 4.31 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.698 2.266 . . . . 0.0 112.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -100.07 -43.52 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.0 p -115.8 -37.49 3.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 108.53 27.43 4.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.5 109.28 17.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 75.9 m -64.13 135.06 56.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.419 ' CB ' ' HB2' ' A' ' 51' ' ' LEU . 2.9 m-85 -134.94 146.64 49.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -64.98 -56.98 9.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -110.85 146.77 35.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.47 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 62.2 tttt -64.43 -39.16 93.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -47.57 -66.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -52.29 -48.27 65.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.458 HD11 ' CA ' ' A' ' 38' ' ' CYS . 34.0 tp -52.03 -46.62 65.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.5 mt -57.06 -39.89 75.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -61.12 -41.09 96.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.424 ' CE1' ' HA ' ' A' ' 59' ' ' CYS . 1.4 t60 -63.96 -36.97 85.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -56.9 -51.5 68.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.62 -49.09 17.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -53.72 -68.39 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -158.45 133.35 8.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.424 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 3.9 t -116.18 140.9 48.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 45.0 mtm -48.94 149.06 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -48.1 141.2 6.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -55.82 149.47 14.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 t -149.82 139.32 21.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -64.74 -177.18 0.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -66.84 106.61 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.7 m -109.01 168.49 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 20.8 m-85 -119.74 155.16 33.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.3 m -116.2 125.13 51.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.436 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.6 t -50.88 172.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.8 p -113.41 10.1 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.569 HG23 ' HE1' ' A' ' 86' ' ' MET . 48.4 t -133.36 -45.56 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.2 p -116.15 -0.7 12.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.418 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 38.7 mm-40 58.96 33.92 23.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 1.3 tp10 -55.6 -173.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.0 p -128.76 124.97 36.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.172 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 74' ' ' GLU . 9.6 m-85 -133.12 119.16 19.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -53.45 -32.87 51.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.439 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 86.1 mtt180 -124.78 162.23 24.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 27.2 tpt180 -68.88 -61.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 79' ' ' ARG . 3.3 tpt -36.15 -47.01 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -50.68 -47.94 58.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.498 HD13 ' CE1' ' A' ' 76' ' ' PHE . 16.1 tp -56.49 -35.76 68.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -66.63 -43.89 83.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 mt -70.57 -13.28 62.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.406 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 22.8 t60 -93.37 -39.67 10.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.569 ' HE1' HG23 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -52.74 -32.25 42.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.7 m -51.36 -30.78 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.8 m -68.46 -27.8 66.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.442 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 65.8 m-70 -83.6 -52.37 6.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -72.33 -40.43 67.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.96 -68.45 0.49 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -150.84 167.39 27.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.0 mtt -77.51 146.11 72.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.52 0.676 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -39.58 6.44 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.713 2.276 . . . . 0.0 112.356 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.478 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 82.7 m-85 -105.89 152.51 23.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -155.88 151.77 27.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -82.45 -174.71 5.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.8 t -123.44 -44.22 2.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 t -73.4 -51.58 16.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.513 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.5 p -96.93 -13.25 22.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.2 p 62.73 30.76 16.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.513 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.2 mm100 -64.73 -174.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.643 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 57.6 mt-30 -141.06 150.57 43.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.643 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.3 m-85 -150.35 162.13 41.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.2 mmt -95.76 -27.75 15.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -123.33 147.77 46.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.478 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 26.0 tttt -59.67 -57.34 13.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 109' ' ' ASP . 0.1 OUTLIER -47.67 -36.67 11.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.409 ' N ' ' HG2' ' A' ' 108' ' ' LYS . 5.9 t0 -61.8 -33.03 73.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.1 tp -80.11 -47.04 15.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -52.83 -50.71 63.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.3 -36.69 82.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.508 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.8 t60 -64.75 -35.12 80.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 34.2 mtp -82.25 -19.99 38.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.3 mt -87.06 -26.24 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -91.28 -58.48 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.509 ' N ' HD23 ' A' ' 117' ' ' LEU . 4.1 mt -77.13 -52.12 9.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 119' ' ' SER . 77.0 m-70 -89.91 34.76 0.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 118' ' ' HIS . 68.5 p -34.61 -49.41 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -115.89 -166.79 14.81 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -13.78 35.17 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.633 2.222 . . . . 0.0 112.361 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.3 t -50.33 160.13 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 95.1 p -87.08 174.25 8.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.499 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -48.78 157.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.862 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 m -121.17 158.81 27.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.18 -113.0 0.55 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -169.4 174.65 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.82 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 t -103.07 -57.79 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.33 173.16 9.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -81.48 -178.18 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -153.3 150.84 29.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.421 ' C ' ' H ' ' A' ' 12' ' ' THR . 4.1 t -88.24 117.63 68.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.663 0.744 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 11.68 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.307 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.606 HG21 ' CG ' ' A' ' 30' ' ' HIS . 19.4 m -119.4 -58.13 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 p -101.12 -7.66 22.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 63.05 45.34 5.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.45 ' HE2' ' CE2' ' A' ' 17' ' ' PHE . 54.2 tttt -106.05 113.33 26.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -80.57 141.92 34.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.906 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.45 ' CE2' ' HE2' ' A' ' 15' ' ' LYS . 46.7 m-85 -125.94 178.84 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 18' ' ' LEU . 8.3 mp -76.61 -55.57 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.7 p -126.48 145.5 50.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' LEU . 11.1 ttpt -44.44 -47.06 9.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.565 ' O ' HG23 ' A' ' 25' ' ' VAL . 15.2 t80 -38.84 -54.69 1.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -58.68 -37.07 75.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 20' ' ' LYS . 22.6 tp -69.58 -63.46 1.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 19.5 ptpt -43.86 -38.38 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 21' ' ' TYR . 86.6 t -70.98 -40.46 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.149 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.469 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 2.2 t60 -71.94 -58.08 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.469 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 11.4 t30 -35.6 -41.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.51 ' CZ ' HG13 ' A' ' 25' ' ' VAL . 42.9 mtm180 -32.85 -43.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -49.25 -52.75 25.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.606 ' CG ' HG21 ' A' ' 12' ' ' THR . 87.8 m-70 -60.71 -61.99 2.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.832 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.9 p -46.46 129.08 10.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.5 46.73 0.96 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -107.8 175.58 5.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.448 ' CG ' ' HB2' ' A' ' 44' ' ' CYS . 14.1 mptt -42.62 151.2 0.39 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.57 0.7 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -14.72 36.57 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.713 2.276 . . . . 0.0 112.349 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -142.07 142.51 32.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.433 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 22.0 tt0 -153.51 157.29 39.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.2 t -74.95 113.3 23.41 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.66 0.743 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 0.92 4.92 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.361 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -100.43 -45.24 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.8 p -113.73 -43.47 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.77 36.27 2.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.514 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 6.5 tmtm? -94.6 120.92 35.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.323 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.448 ' HB2' ' CG ' ' A' ' 34' ' ' LYS . 31.1 p -64.16 157.17 26.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.514 ' CE2' ' HD2' ' A' ' 43' ' ' LYS . 5.0 m-85 -167.72 107.85 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.16 -49.23 43.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.474 ' CG ' ' HB2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -88.38 140.52 29.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -84.04 -29.76 26.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 35.5 mp0 -55.63 -55.77 28.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.474 ' HB2' ' CG ' ' A' ' 47' ' ' ARG . 2.3 m-80 -63.55 -51.46 65.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.41 ' HB2' ' CB ' ' A' ' 45' ' ' TYR . 18.9 tp -47.7 -43.03 26.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.4 mt -58.84 -42.8 90.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 54' ' ' HIS . 36.4 mt-10 -62.86 -62.54 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.441 ' CD2' ' C ' ' A' ' 54' ' ' HIS . 1.5 t60 -36.26 -51.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -37.68 -44.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -93.7 -43.74 8.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -63.24 1.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -147.5 150.43 34.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.2 t -169.79 168.48 8.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.5 tpp -42.99 153.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -64.84 120.4 12.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -40.17 -62.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.8 t -61.58 150.61 35.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -157.84 105.58 2.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -72.16 106.78 4.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.686 HG12 ' HA ' ' A' ' 77' ' ' ARG . 35.4 m -93.68 173.28 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 10.0 m-85 -119.66 161.95 19.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.2 m -124.61 128.93 49.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.175 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.439 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 5.2 t -56.8 172.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.4 t -113.29 3.08 15.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.458 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 89.2 t -123.36 -48.83 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.0 p -113.36 -2.34 14.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.439 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 44.4 mm-40 60.15 34.71 21.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.589 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -57.41 -174.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.1 p -127.41 128.13 45.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.589 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 10.3 m-85 -135.22 114.98 12.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.686 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -48.88 -33.19 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.461 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 21.2 mtp85 -125.18 171.94 9.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.57 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 11.2 ttp180 -76.83 -64.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' ARG . 0.7 OUTLIER -33.35 -49.13 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -48.72 -53.14 20.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.518 HD13 ' CE1' ' A' ' 76' ' ' PHE . 14.3 tp -52.22 -38.89 59.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -62.31 -47.29 84.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.93 -14.43 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -91.1 -39.76 11.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.13 -32.44 35.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.462 HG12 ' CE ' ' A' ' 105' ' ' MET . 5.1 m -49.96 -33.94 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.9 m -67.08 -29.12 68.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.458 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 52.5 m-70 -82.02 -54.05 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.827 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.2 t -68.92 -39.91 79.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.61 -58.18 0.66 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -156.18 165.89 35.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.83 0.348 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.416 ' SD ' ' HB3' ' A' ' 103' ' ' GLN . 3.1 mtt -68.61 152.3 96.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.546 0.689 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -45.18 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.366 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 85.6 m-85 -102.54 154.05 19.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -155.37 151.08 27.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -86.39 -177.07 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 t -124.24 -43.17 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -71.14 -45.56 63.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.507 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.2 p -105.93 -15.56 14.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m 65.0 35.74 7.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.507 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.6 mm100 -69.09 -174.29 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.416 ' HB3' ' SD ' ' A' ' 93' ' ' MET . 64.2 mt-30 -143.63 139.61 29.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -140.19 172.3 12.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.462 ' CE ' HG12 ' A' ' 87' ' ' VAL . 9.1 mmt -108.46 -23.97 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -119.49 150.58 40.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 25.7 tttp -66.75 -46.83 74.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -62.33 -26.5 68.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -35.07 76.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.1 tp -79.18 -48.24 14.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -52.02 -50.55 61.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 t -62.04 -40.77 96.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.542 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.4 t60 -58.15 -40.38 81.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.458 ' O ' ' C ' ' A' ' 118' ' ' HIS . 41.5 mtp -76.28 -32.83 59.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.1 mt -76.13 -23.52 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.48 -55.09 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.542 HD12 ' CE1' ' A' ' 113' ' ' HIS . 6.5 mt -81.08 -51.36 8.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 114' ' ' MET . 68.9 m-70 -90.44 39.96 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.8 t -75.98 49.21 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 166.54 173.64 35.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -16.32 37.73 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 33.7 m -51.26 155.78 1.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.2 t -170.86 139.12 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.479 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -80.73 173.45 12.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.851 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 m -66.63 -58.99 4.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.75 166.72 23.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.0 m -83.61 174.38 10.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.379 . . . . 0.0 110.827 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -69.82 -58.21 4.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.07 -167.85 25.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.515 HG21 ' HB2' ' A' ' 23' ' ' LEU . 29.0 m -83.47 -177.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 111.125 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -147.73 137.29 22.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 14' ' ' HIS . 42.8 t -86.44 115.92 63.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.664 0.745 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 5.05 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -102.17 -52.12 3.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.9 p -120.52 10.06 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' CYS . 67.6 m-70 56.98 25.05 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.528 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 62.0 tttt -85.61 111.83 20.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -84.58 157.52 21.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.528 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 43.6 m-85 -137.76 -176.4 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 mp -69.94 -54.69 12.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 t -136.43 172.68 12.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.484 ' CD ' ' HG3' ' A' ' 24' ' ' LYS . 4.2 tmtp? -57.11 -50.41 72.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -38.82 -60.03 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -49.31 -43.62 43.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.515 ' HB2' HG21 ' A' ' 8' ' ' VAL . 44.0 tp -58.08 -61.25 2.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.484 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 36.3 mttm -43.04 -43.69 4.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.4 t -68.54 -33.99 62.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 4.3 t60 -76.55 -62.15 1.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.463 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -33.93 -44.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -45.14 -49.13 12.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -40.2 -43.5 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -54.62 -55.73 26.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.3 p -62.47 174.74 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.44 109.4 2.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.448 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -90.86 155.03 19.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -57.1 157.56 11.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.588 0.709 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.449 ' HB2' ' CD1' ' A' ' 36' ' ' PHE . 53.6 Cg_endo -69.75 -48.18 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 35' ' ' PRO . 70.8 m-85 -133.54 169.17 17.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 44' ' ' CYS . 36.4 tt0 -170.91 123.15 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.591 ' HA ' HD11 ' A' ' 51' ' ' LEU . 2.3 t -36.37 105.74 0.3 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.731 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 53.9 Cg_endo -69.74 2.1 3.83 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -99.37 -34.86 10.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.1 p -125.88 -43.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.56 21.56 3.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.579 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 3.1 tmtm? -80.96 106.23 12.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.747 0.308 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.48 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 11.5 p -63.24 165.53 7.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.579 ' CE2' ' HD2' ' A' ' 43' ' ' LYS . 6.0 m-85 -165.1 114.62 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -39.72 -48.36 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -112.44 157.64 20.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 49' ' ' GLU . 64.6 tttt -70.97 -54.23 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 48' ' ' LYS . 19.4 tt0 -34.54 -56.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -54.99 -51.47 66.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.591 HD11 ' HA ' ' A' ' 38' ' ' CYS . 6.6 tp -49.11 -52.22 27.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.9 mt -57.09 -41.4 78.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.58 -44.65 95.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.452 ' CE1' ' HA ' ' A' ' 59' ' ' CYS . 3.6 t60 -57.87 -37.49 74.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -60.17 -63.55 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.41 -51.14 67.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -54.16 -70.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 54' ' ' HIS . 29.9 t-20 -160.37 124.91 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.452 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 3.0 t -95.43 146.49 24.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 27.2 ttp -45.12 131.65 7.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -111.42 150.52 29.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -78.63 -47.89 16.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -83.43 55.08 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -136.38 117.09 13.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -45.56 104.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 77' ' ' ARG . 27.5 m -74.63 172.32 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.126 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 19.0 m-85 -125.51 158.55 34.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 73' ' ' GLN . 88.0 m -118.33 127.07 53.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.446 ' HA ' ' CD1' ' A' ' 82' ' ' LEU . 5.3 t -53.34 172.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.8 m -113.13 10.59 18.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.407 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 46.9 t -134.13 -44.56 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.2 p -117.14 -0.49 12.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.418 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 37.0 mm-40 57.91 34.97 24.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 2.5 tp10 -56.15 -173.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.9 p -128.55 122.86 32.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.554 ' CE1' HD13 ' A' ' 82' ' ' LEU . 11.6 m-85 -129.99 118.87 22.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.592 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -55.81 -27.99 53.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -127.24 160.87 29.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 13.1 ttp180 -68.23 -61.89 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 79' ' ' ARG . 4.4 tpt -37.53 -47.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -46.8 -51.6 16.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.554 HD13 ' CE1' ' A' ' 76' ' ' PHE . 18.6 tp -54.83 -34.99 63.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -66.93 -41.72 86.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.816 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 mt -73.01 -19.0 61.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -87.21 -38.14 16.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.429 ' HA ' ' HE3' ' A' ' 86' ' ' MET . 0.2 OUTLIER -50.17 -22.93 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.496 HG12 ' HG2' ' A' ' 93' ' ' MET . 2.5 m -57.49 -29.72 34.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.1 p -70.95 -13.51 62.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.407 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 86.5 m-70 -104.96 -23.56 12.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.0 p -95.12 -31.19 13.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.423 ' O ' ' HG3' ' A' ' 92' ' ' GLU . . . 113.35 -41.65 2.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.506 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 91' ' ' GLY . 1.3 mt-10 -165.2 149.67 8.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.496 ' HG2' HG12 ' A' ' 87' ' ' VAL . 34.3 mtp -69.6 153.63 95.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.597 0.713 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -38.95 7.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.262 . . . . 0.0 112.342 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -108.67 151.67 25.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.404 ' HG2' ' HG2' ' A' ' 103' ' ' GLN . 4.3 mtmm -152.41 143.2 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -79.55 -174.55 4.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.3 m -126.11 -43.6 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -71.13 -42.65 68.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.529 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 31.2 p -111.61 -2.08 15.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.5 p 54.55 27.95 9.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.529 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 3.7 mm100 -60.75 -173.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.613 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 49.1 mt-30 -145.16 148.22 33.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.613 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.4 m-85 -148.03 165.65 30.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.496 ' HG2' ' CE ' ' A' ' 93' ' ' MET . 5.8 mmt -97.62 -28.39 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -122.41 159.3 27.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.417 ' HD3' ' CG ' ' A' ' 111' ' ' GLN . 0.1 OUTLIER -67.42 -57.95 5.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -48.43 -39.37 22.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -58.77 -29.98 67.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 16.7 tp -88.56 -44.07 10.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.417 ' CG ' ' HD3' ' A' ' 107' ' ' LYS . 25.8 mm-40 -54.5 -51.37 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -61.74 -38.8 89.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.56 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.8 t60 -60.72 -41.13 94.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 34.3 mtp -74.92 -23.41 58.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.6 mt -85.57 -23.1 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -96.21 -56.39 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 113' ' ' HIS . 4.3 mt -76.79 -51.82 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -90.69 34.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.6 t -61.78 -71.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.84 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 158.53 -142.58 8.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 102.76 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.25 . . . . 0.0 112.348 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.5 t -132.45 -177.66 4.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.814 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.1 m -141.94 177.39 8.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.52 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 p -169.22 128.41 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.2 p -89.5 173.16 8.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.49 -139.04 2.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -110.12 157.31 19.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.373 . . . . 0.0 110.883 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.3 p -132.88 128.56 36.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.11 173.11 32.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.8 m -73.08 174.35 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -144.17 142.52 30.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.2 t -91.25 115.69 64.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.67 0.748 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 6.36 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.447 HG21 ' CG ' ' A' ' 30' ' ' HIS . 6.2 m -102.24 -57.73 2.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.159 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 23.2 p -116.37 18.08 15.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 48.38 33.79 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.408 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 50.7 tttt -94.76 114.66 26.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -82.85 159.26 22.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -138.23 174.2 10.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.8 mt -73.86 -43.78 57.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.0 m -141.9 177.61 8.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' N ' ' HD3' ' A' ' 20' ' ' LYS . 2.0 mppt? -66.53 -40.4 89.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -45.44 -64.55 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -51.27 -36.19 40.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.7 tp -67.57 -66.21 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.496 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 44.4 pttt -42.98 -36.87 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.496 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 72.1 t -74.73 -37.3 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -70.17 -51.2 33.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -43.93 -44.67 7.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -38.56 -53.34 1.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -41.61 -49.17 4.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.447 ' CG ' HG21 ' A' ' 12' ' ' THR . 33.8 m-70 -52.54 -56.09 17.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.8 t -80.43 129.3 34.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 155.12 -105.25 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -144.63 152.08 39.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.882 0.372 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -151.9 140.8 13.82 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.6 0.714 . . . . 0.0 110.85 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.417 ' HB2' ' CD2' ' A' ' 36' ' ' PHE . 53.9 Cg_endo -69.78 -38.89 7.13 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.637 2.225 . . . . 0.0 112.379 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.417 ' CD2' ' HB2' ' A' ' 35' ' ' PRO . 36.2 m-85 -143.15 179.43 7.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.833 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 29.8 tt0 -164.57 153.57 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.575 ' HA ' HD11 ' A' ' 51' ' ' LEU . 8.4 t -71.08 113.11 16.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.631 0.729 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 53.9 Cg_endo -69.74 0.68 5.28 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.625 2.216 . . . . 0.0 112.361 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -99.81 -42.56 6.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.0 p -116.58 -45.61 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.48 35.89 1.68 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.431 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 4.4 tmtt? -94.26 119.32 32.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.733 0.302 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.464 ' HB2' ' CB ' ' A' ' 34' ' ' LYS . 30.0 p -68.06 152.4 45.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -147.48 145.42 29.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -72.68 -41.21 65.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -112.37 148.99 33.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -70.65 -48.89 52.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -48.72 -53.53 18.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -51.26 -47.44 62.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.575 HD11 ' HA ' ' A' ' 38' ' ' CYS . 31.4 tp -56.01 -54.37 45.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.9 mt -49.08 -41.42 35.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.42 -62.09 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.416 ' CE1' ' O ' ' A' ' 58' ' ' ASN . 3.1 t60 -40.18 -46.32 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -44.69 -40.91 6.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.31 -44.17 8.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -53.26 -54.45 35.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.416 ' O ' ' CE1' ' A' ' 54' ' ' HIS . 8.8 t-20 -169.36 144.88 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.0 t -148.03 174.9 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.9 ttm -46.46 117.46 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -166.08 171.47 12.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.83 98.07 6.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.8 p -65.18 122.64 17.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -112.98 39.27 2.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -98.89 118.23 35.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.9 m -117.11 166.26 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.552 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 8.4 m-85 -112.98 149.8 32.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.4 m -114.83 130.4 56.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.144 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.453 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 4.5 t -60.14 174.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.7 t -116.33 -0.3 12.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.474 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 56.1 t -119.85 -48.97 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 27.1 p -113.46 -2.36 13.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.453 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 8.6 mm100 59.9 36.18 21.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.607 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 1.5 tp10 -61.28 179.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.9 p -123.14 129.4 51.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.669 ' CE1' HD13 ' A' ' 82' ' ' LEU . 8.7 m-85 -134.38 117.47 16.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.836 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -52.66 -32.5 42.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.407 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 88.7 mtt180 -124.63 170.27 11.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.552 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 13.1 tpp180 -77.43 -59.67 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' ARG . 5.8 tpt -36.14 -53.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -45.28 -48.31 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.669 HD13 ' CE1' ' A' ' 76' ' ' PHE . 32.7 tp -56.58 -43.35 79.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -58.01 -42.14 84.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.407 ' O ' HG22 ' A' ' 87' ' ' VAL . 5.8 mt -75.06 -12.75 60.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.413 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 36.8 t60 -90.41 -44.58 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -49.75 -34.07 18.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.489 HG12 ' HG2' ' A' ' 93' ' ' MET . 3.8 m -50.8 -32.34 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -67.28 -28.02 67.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.474 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 58.7 m-70 -82.54 -51.04 8.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 91' ' ' GLY . 6.1 t -71.78 -45.32 61.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.455 ' N ' HG23 ' A' ' 90' ' ' THR . . . 136.55 -47.01 0.99 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 93' ' ' MET . 3.8 tt0 -162.31 160.59 26.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.489 ' HG2' HG12 ' A' ' 87' ' ' VAL . 5.0 mtt -73.28 148.08 88.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.59 0.71 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -43.75 2.44 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 86.3 m-85 -101.08 146.69 27.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -151.34 142.17 22.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -74.36 -175.36 2.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.7 m -122.86 -45.66 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.555 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.4 t -71.18 -48.26 52.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.505 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.0 p -102.45 -14.65 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 55.9 m 63.14 34.51 13.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.505 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.4 mm-40 -65.37 -175.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.506 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 57.1 mt-30 -140.7 146.69 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 11.0 m-85 -148.32 165.2 31.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.1 mmt -96.84 -29.16 13.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -117.85 160.31 21.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 37.3 tttm -73.18 -50.18 23.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -56.0 -33.51 64.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.473 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 4.5 t0 -61.26 -36.52 80.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 20.0 tp -77.13 -50.88 12.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -47.67 -51.04 23.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -62.72 -43.66 98.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.472 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.3 t60 -54.84 -39.44 68.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.48 ' O ' ' C ' ' A' ' 118' ' ' HIS . 40.9 mtp -78.02 -30.64 50.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.414 ' O ' ' HB3' ' A' ' 119' ' ' SER . 20.6 mt -75.0 -28.51 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.484 ' N ' ' HE2' ' A' ' 116' ' ' LYS . 0.3 OUTLIER -89.29 -57.01 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.827 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.493 ' N ' HD23 ' A' ' 117' ' ' LEU . 4.9 mt -78.32 -54.23 6.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.555 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 97.8 m-70 -87.42 35.42 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.79 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' ' 115' ' ' ILE . 94.9 p -61.46 86.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -81.41 136.49 16.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 106.33 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.656 2.238 . . . . 0.0 112.351 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.7 m -88.68 91.38 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.2 p -152.65 114.46 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.48 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -113.84 158.59 20.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.381 . . . . 0.0 110.819 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -126.3 158.72 35.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.96 66.79 0.23 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.427 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.5 t -112.83 -61.8 1.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -99.82 151.03 21.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.77 166.08 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.501 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.624 HG11 ' HG2' ' A' ' 20' ' ' LYS . 31.6 m -72.19 176.04 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.799 0.333 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -144.1 146.79 33.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.7 t -98.01 114.24 64.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 6.36 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.736 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.0 m -101.31 -55.3 2.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.9 p -119.23 15.51 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 52.56 30.37 8.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 45.7 tttt -92.03 117.03 29.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -87.75 157.19 19.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.44 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 68.5 m-85 -139.37 178.18 7.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -64.49 -55.84 18.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.8 m -141.45 165.71 26.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.624 ' HG2' HG11 ' A' ' 8' ' ' VAL . 22.3 mmtm -45.94 -56.77 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.462 ' C ' ' O ' ' A' ' 20' ' ' LYS . 4.3 t80 -32.38 -65.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -50.18 -48.69 53.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.438 ' HB2' HG21 ' A' ' 8' ' ' VAL . 19.2 tp -55.23 -58.26 8.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.417 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 50.9 mttm -43.15 -59.57 2.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.7 t -53.71 -35.16 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.154 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.533 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 4.1 t60 -71.1 -65.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.533 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -36.0 -45.67 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 27' ' ' ASN . 56.3 mtp85 -33.87 -45.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -45.63 -56.51 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.736 ' CG ' HG21 ' A' ' 12' ' ' THR . 89.6 m-70 -49.63 -48.7 48.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.3 t -141.69 133.47 27.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.96 38.9 1.62 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -101.93 145.25 29.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -169.43 124.45 0.71 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -50.75 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.328 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -136.0 142.92 44.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.401 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 30.5 tt0 -135.07 125.4 26.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 3.9 t -41.38 112.62 0.99 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 53.4 Cg_endo -69.81 -1.62 8.82 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -95.41 -47.29 6.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.8 p -110.91 -43.49 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.49 35.85 1.84 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.401 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 30.0 tptt -97.1 121.72 39.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.7 p -74.85 145.5 42.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -145.89 116.92 7.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -50.58 -49.9 55.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.33 146.73 24.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.455 ' HE3' HD23 ' A' ' 51' ' ' LEU . 33.9 tptt -71.13 -47.57 57.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -43.87 -60.14 1.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -47.89 -55.11 10.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.455 HD23 ' HE3' ' A' ' 48' ' ' LYS . 12.1 tp -47.07 -51.88 16.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.52 -51.97 67.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 57' ' ' ARG . 44.0 mt-10 -53.15 -38.46 62.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 59' ' ' CYS . 1.8 t60 -65.72 -42.43 91.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -54.29 -55.59 26.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.34 -50.11 29.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 53' ' ' GLU . 4.1 tmt_? -54.04 -64.59 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -164.88 132.04 3.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.423 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 8.1 t -111.12 129.52 55.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' CYS . 33.1 ttp -36.59 147.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -140.46 175.91 9.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -79.62 168.02 19.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.5 t -68.04 154.6 41.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 65' ' ' GLN . 3.0 mp0 -128.85 177.05 7.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 64' ' ' GLU . 12.7 tt0 -35.16 112.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.603 HG12 ' HA ' ' A' ' 77' ' ' ARG . 30.5 m -82.38 170.76 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 5.3 m-85 -116.38 175.38 5.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 93.4 m -141.47 124.04 15.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.45 ' SG ' ' CE ' ' A' ' 86' ' ' MET . 25.2 t -58.6 158.17 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.5 t -102.89 15.34 29.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.449 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 53.1 t -128.7 -45.88 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.1 p -117.66 -12.7 10.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 71.74 31.37 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.596 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -56.95 -174.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.6 p -128.38 128.27 44.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.737 ' CE1' HD13 ' A' ' 82' ' ' LEU . 8.7 m-85 -134.86 118.81 17.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.621 ' H ' ' NE ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -54.8 -31.46 59.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -125.88 169.93 12.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 4.8 ttp-105 -75.89 -60.47 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 79' ' ' ARG . 5.5 tpt -36.77 -52.73 0.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -45.56 -50.22 13.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.737 HD13 ' CE1' ' A' ' 76' ' ' PHE . 32.4 tp -55.79 -39.12 70.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -61.32 -43.7 98.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.412 ' O ' HG22 ' A' ' 87' ' ' VAL . 7.4 mt -71.5 -14.05 62.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.403 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 21.1 t60 -89.53 -44.72 9.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.45 ' CE ' ' SG ' ' A' ' 69' ' ' CYS . 0.2 OUTLIER -47.71 -33.95 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.439 HG12 ' CE ' ' A' ' 105' ' ' MET . 4.6 m -49.59 -32.28 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.8 t -67.13 -28.85 68.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.449 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 55.9 m-70 -84.08 -52.74 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.6 t -69.69 -40.59 76.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.93 -65.62 0.52 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -155.36 168.34 27.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.537 ' HG2' ' HE2' ' A' ' 105' ' ' MET . 8.8 mtp -80.29 150.91 71.75 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.556 0.694 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -45.79 1.47 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.704 2.27 . . . . 0.0 112.374 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.612 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 72.2 m-85 -93.08 148.47 21.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.405 ' NZ ' ' HB2' ' A' ' 96' ' ' LYS . 2.0 mtmp? -154.73 143.87 21.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.88 -177.85 6.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.8 p -121.38 -46.81 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -65.86 -51.78 55.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 30.0 p -98.5 -22.01 16.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.1 m 72.97 25.2 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -61.57 -174.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.601 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 61.6 mt-30 -140.43 154.84 46.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.601 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 5.1 m-85 -153.87 159.54 41.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.537 ' HE2' ' HG2' ' A' ' 93' ' ' MET . 5.6 mmt -95.71 -27.01 15.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.455 ' C ' ' CE2' ' A' ' 95' ' ' TYR . 12.8 mt-30 -114.33 165.37 12.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.612 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 1.5 ttmp? -80.21 -45.1 18.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -61.62 -31.75 71.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -61.85 -37.64 85.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.6 tp -77.45 -51.4 10.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.42 ' O ' HD12 ' A' ' 115' ' ' ILE . 26.6 mt-30 -49.38 -51.51 34.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 t -64.09 -36.75 85.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.595 ' CE1' HD12 ' A' ' 117' ' ' LEU . 2.6 t60 -62.44 -40.77 97.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 48.0 mtp -75.33 -26.5 58.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 111' ' ' GLN . 16.2 mt -81.14 -26.58 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -92.73 -58.53 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.595 HD12 ' CE1' ' A' ' 113' ' ' HIS . 6.4 mt -72.64 -50.11 27.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.922 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -97.84 37.29 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.1 t -38.84 -58.18 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 150.38 138.21 2.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 123.48 10.16 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.7 m -70.34 -46.11 64.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 89.1 p -113.02 155.68 24.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.112 -0.826 . . . . 0.0 112.469 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 m -106.96 -48.39 3.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -150.04 124.47 9.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.87 41.38 0.42 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 m -108.99 129.13 55.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -59.0 136.1 57.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.77 176.93 38.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.977 HG11 ' HD3' ' A' ' 20' ' ' LYS . 27.3 m -79.93 174.94 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 111.125 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -141.52 139.72 33.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 14' ' ' HIS . 43.5 t -86.92 115.56 62.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.658 0.742 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 4.98 1.86 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.423 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 2.0 m -101.25 -53.33 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.2 p -118.58 9.21 12.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 10' ' ' CYS . 72.9 m-70 59.69 25.07 13.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.405 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 31.5 tttt -85.89 120.48 27.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -95.15 157.06 16.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.915 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.405 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 17.1 m-85 -136.84 174.15 10.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.764 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -74.51 -36.16 63.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 m -142.53 158.37 43.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.977 ' HD3' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -56.33 -49.59 73.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' LYS . 75.8 t80 -35.57 -54.74 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.646 ' HE2' HD11 ' A' ' 18' ' ' LEU . 9.8 m-85 -59.5 -43.46 93.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' HB2' HG21 ' A' ' 8' ' ' VAL . 33.1 tp -56.51 -43.31 79.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -60.46 -64.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 64.7 t -48.09 -35.66 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.52 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 3.1 t60 -70.85 -62.98 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.52 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -41.44 -52.81 3.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.51 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 50.8 mtt85 -34.38 -40.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -54.58 -50.3 68.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' ASN . 31.5 m-70 -42.83 -45.15 4.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.415 ' O ' HG23 ' A' ' 31' ' ' THR . 6.0 t -141.45 120.0 12.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.19 114.15 1.77 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.452 ' OE1' ' CZ ' ' A' ' 28' ' ' ARG . 35.3 tt0 -83.29 150.06 26.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 110.9 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.406 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.5 OUTLIER -64.16 132.17 95.23 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.57 0.7 . . . . 0.0 110.857 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.561 ' HG2' ' CD2' ' A' ' 36' ' ' PHE . 53.8 Cg_endo -69.79 2.2 3.76 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.705 2.27 . . . . 0.0 112.313 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 41.3 m-85 -145.2 157.52 44.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 40.2 tt0 -167.77 134.67 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 4.3 t -49.49 110.33 1.54 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.693 0.759 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 53.8 Cg_endo -69.69 0.83 5.02 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.754 2.302 . . . . 0.0 112.317 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -98.57 -40.28 8.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.7 p -119.74 -44.12 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.14 31.74 1.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.422 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 13.2 tptp -92.04 111.16 22.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.558 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 1.8 m -62.11 163.21 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 44' ' ' CYS . 9.9 m-85 -163.67 128.39 2.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -58.69 -54.97 41.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.05 129.06 51.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -54.66 -46.54 74.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -43.71 -46.07 7.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -65.01 -48.87 72.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.9 tp -51.72 -54.08 32.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.9 mt -46.4 -45.5 17.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -56.12 -58.64 7.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 55' ' ' GLU . 3.4 t60 -44.03 -53.45 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' HIS . 43.7 mt-10 -37.54 -44.82 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.01 -44.97 12.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -55.3 -62.43 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -151.24 158.9 44.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.5 t -174.59 111.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.1 ptp -49.47 156.53 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -85.05 135.03 34.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -43.57 122.26 2.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.5 p -173.46 134.65 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -103.06 99.71 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -78.47 108.27 11.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' ' 77' ' ' ARG . 27.6 m -115.97 167.51 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.447 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 9.8 m-85 -114.28 153.19 30.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 95.1 m -117.18 129.3 55.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.445 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.8 t -55.96 172.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.3 t -115.88 12.82 15.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.521 HG11 ' ND1' ' A' ' 89' ' ' HIS . 49.5 t -133.82 -44.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.0 p -117.15 -4.37 11.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 61.31 40.18 14.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -64.58 -174.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.6 p -127.72 126.98 42.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 14.9 m-85 -134.07 114.69 13.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.598 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -52.95 -22.03 5.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.2 mtt-85 -134.47 166.38 23.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 80' ' ' MET . 7.3 tpt180 -73.35 -64.18 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.46 ' C ' ' O ' ' A' ' 79' ' ' ARG . 2.7 tpt -33.22 -53.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -46.01 -48.04 16.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.548 HD13 ' CE1' ' A' ' 76' ' ' PHE . 19.6 tp -56.84 -39.39 74.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.403 ' CB ' ' HG3' ' A' ' 105' ' ' MET . 10.8 mmm180 -62.82 -45.83 90.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.9 mt -67.43 -20.92 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -85.41 -40.31 16.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -48.72 -21.77 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.1 m -55.07 -30.82 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.2 p -72.83 -13.63 61.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.521 ' ND1' HG11 ' A' ' 71' ' ' VAL . 82.3 m-70 -107.23 -32.77 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.6 p -82.62 -35.09 27.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.188 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 116.25 -33.66 5.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.455 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -174.54 143.8 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.484 ' CE ' ' HG2' ' A' ' 105' ' ' MET . 46.4 mtp -51.15 153.42 3.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.697 . . . . 0.0 110.837 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -47.82 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 89.6 m-85 -91.73 147.04 23.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -152.63 143.16 22.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.927 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.5 t -78.93 -175.5 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.6 t -126.27 -42.73 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 m -71.76 -40.05 69.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.518 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 30.2 p -113.01 -11.51 13.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 p 64.71 25.3 13.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.518 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.2 mm100 -59.56 -174.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.611 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 55.9 mt-30 -142.87 152.78 42.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 8.3 m-85 -152.43 164.75 36.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.484 ' HG2' ' CE ' ' A' ' 93' ' ' MET . 6.1 mmt -99.67 -26.22 14.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -120.79 154.38 35.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 29.7 tttm -68.49 -51.1 46.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -57.34 -26.62 61.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.0 -30.19 66.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 18.1 tp -83.34 -45.28 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -53.92 -52.31 60.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -59.44 -41.42 89.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.506 ' CE1' HD12 ' A' ' 117' ' ' LEU . 5.1 t60 -58.03 -39.01 77.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 35.5 mtp -78.09 -22.45 48.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 17.9 mt -84.29 -26.1 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.1 -56.32 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.509 ' N ' HD23 ' A' ' 117' ' ' LEU . 4.5 mt -78.9 -52.92 7.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 119' ' ' SER . 77.0 m-70 -88.95 32.83 0.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 118' ' ' HIS . 32.2 t -34.97 -54.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -136.06 146.21 18.19 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -0.57 7.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 2.254 . . . . 0.0 112.355 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 98.9 p -67.59 127.24 32.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.7 t -165.23 146.37 7.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.132 -0.816 . . . . 0.0 112.523 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 m -105.53 119.24 38.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 0.0 110.864 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -125.32 98.57 5.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.87 84.17 0.59 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.455 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -144.75 140.56 28.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.368 . . . . 0.0 110.833 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 m -159.32 178.35 10.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.52 -167.79 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 20' ' ' LYS . 35.4 m -73.0 168.13 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 0.0 111.157 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -138.1 145.05 41.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.401 ' C ' ' H ' ' A' ' 12' ' ' THR . 34.9 t -95.67 113.49 62.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.632 0.73 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 10.59 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.384 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.586 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.1 m -104.89 -58.73 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 27.8 p -115.57 10.5 15.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 58.55 30.23 19.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.406 ' HB2' ' NZ ' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -92.89 113.17 25.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -84.24 160.17 20.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -139.7 158.41 44.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.698 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -67.93 -39.65 83.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.0 t -136.85 158.76 43.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' LEU . 1.8 mppt? -58.57 -49.38 77.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' LYS . 19.5 t80 -35.94 -56.07 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.698 ' HE2' HD11 ' A' ' 18' ' ' LEU . 11.7 m-85 -59.22 -36.28 75.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 20' ' ' LYS . 53.4 tp -66.16 -60.91 2.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.938 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -48.15 -36.01 12.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.811 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.471 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 53.9 t -75.07 -38.59 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -68.93 -54.21 16.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -48.11 -43.14 30.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 27' ' ' ASN . 27.1 mtp85 -36.98 -40.44 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -60.35 -44.97 95.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.586 ' CG ' HG21 ' A' ' 12' ' ' THR . 14.1 m-70 -55.74 -75.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.2 t -49.17 146.92 3.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.12 -166.37 32.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -99.07 134.23 42.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -172.84 122.99 0.44 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.58 0.705 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -49.67 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.649 2.233 . . . . 0.0 112.37 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -133.26 161.9 33.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -155.74 131.19 9.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 t -54.98 112.69 4.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.59 4.33 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -98.88 -44.38 6.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.5 p -114.41 -42.83 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.66 38.02 2.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.4 ' HD2' ' CZ ' ' A' ' 45' ' ' TYR . 3.7 tmtt? -100.21 114.04 27.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.9 p -60.41 155.17 18.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.4 ' CZ ' ' HD2' ' A' ' 43' ' ' LYS . 15.7 m-85 -154.45 115.17 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -41.15 -57.28 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' A' ' 47' ' ' ARG . 2.6 mmp_? -107.69 149.11 28.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 49' ' ' GLU . 12.0 ttpp -69.31 -44.67 71.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 48' ' ' LYS . 13.7 mt-10 -33.97 -55.5 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -61.49 -44.79 96.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 48' ' ' LYS . 17.9 tp -53.64 -44.71 69.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.1 mt -57.77 -45.38 86.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 54' ' ' HIS . 59.5 mt-10 -64.73 -65.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.515 ' CE1' ' HA ' ' A' ' 59' ' ' CYS . 1.7 t60 -36.13 -38.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.07 -49.75 76.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 53' ' ' GLU . . . -80.99 -50.58 9.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.092 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.454 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 25.7 mmt180 -53.63 -64.17 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 70.8 m-80 -165.03 121.8 1.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.515 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 10.5 t -94.66 -62.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.1 mmt -71.42 -53.8 12.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -62.38 175.65 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 62.87 41.06 9.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.2 p -80.85 177.16 9.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -49.16 121.39 4.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -91.69 105.24 17.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.637 HG12 ' HA ' ' A' ' 77' ' ' ARG . 28.5 m -82.2 171.1 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 9.3 m-85 -118.49 156.09 29.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 89.9 m -119.32 129.35 54.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.433 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.5 t -57.02 173.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.9 t -115.61 4.65 14.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.46 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 88.0 t -125.16 -48.69 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.444 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.0 p -113.1 -3.27 13.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 60.89 37.06 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 2.5 tp10 -61.14 -176.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.5 p -126.82 125.55 41.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.785 ' CE1' HD13 ' A' ' 82' ' ' LEU . 8.4 m-85 -131.41 115.56 16.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.637 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -48.75 -34.82 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.443 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 21.2 mtp180 -124.12 171.4 9.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.562 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 17.0 tpt180 -76.59 -60.81 2.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 79' ' ' ARG . 4.0 tpt -36.39 -48.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -48.53 -51.36 27.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.785 HD13 ' CE1' ' A' ' 76' ' ' PHE . 37.2 tp -53.87 -40.34 66.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -60.59 -43.85 96.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.3 mt -71.91 -12.5 61.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.404 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 25.9 t60 -92.57 -43.65 9.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -48.09 -33.36 8.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.437 HG12 ' HG2' ' A' ' 93' ' ' MET . 3.7 m -49.97 -33.64 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.1 p -65.88 -27.73 68.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.46 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 65.5 m-70 -84.58 -55.15 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 91' ' ' GLY . 6.6 t -65.46 -42.65 92.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.416 ' N ' HG23 ' A' ' 90' ' ' THR . . . 134.08 -45.64 1.1 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.534 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -167.48 162.37 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.437 ' HG2' HG12 ' A' ' 87' ' ' VAL . 5.3 mtp -73.74 148.24 87.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.571 0.701 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -46.31 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.683 2.255 . . . . 0.0 112.378 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -91.33 153.42 19.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -156.33 142.92 18.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.0 -174.95 4.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 m -124.28 -45.02 1.98 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.556 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.0 OUTLIER -70.61 -50.76 33.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.517 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.2 p -101.86 -13.14 17.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.4 m 64.46 31.88 12.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.517 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 3.5 mm-40 -61.27 -173.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.499 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 60.8 mt-30 -143.09 142.02 31.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.69 ' CE1' HD13 ' A' ' 110' ' ' LEU . 1.4 m-85 -144.19 167.13 23.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.5 mmt -107.13 -23.89 12.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -125.75 154.0 43.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -56.55 -67.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -42.58 -41.59 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -54.41 -38.33 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.69 HD13 ' CE1' ' A' ' 104' ' ' PHE . 21.4 tp -86.8 -55.49 3.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -47.68 -48.45 29.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.402 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 1.4 t -63.87 -39.91 95.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.544 ' CE1' HD12 ' A' ' 117' ' ' LEU . 3.6 t60 -59.88 -40.19 87.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.821 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 118' ' ' HIS . 47.7 mtp -76.09 -27.7 57.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.2 mt -80.1 -27.05 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.402 ' CD ' ' O ' ' A' ' 112' ' ' SER . 1.2 mptm? -88.61 -57.1 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.544 HD12 ' CE1' ' A' ' 113' ' ' HIS . 6.4 mt -80.18 -55.34 5.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.556 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 87.1 m-70 -84.59 27.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.0 t -39.57 -53.22 2.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 153.35 -155.62 26.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.555 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -41.39 4.26 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.0 m -48.43 119.63 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 54.3 p 45.69 41.96 7.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.82 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.478 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -113.49 103.75 11.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 m -114.37 82.51 1.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.11 77.04 0.28 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.538 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -103.61 -50.78 3.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.867 0.365 . . . . 0.0 110.831 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -107.64 150.98 26.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.28 171.08 12.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.51 HG11 ' HD3' ' A' ' 20' ' ' LYS . 35.1 m -83.18 174.14 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' CD ' ' HE2' ' A' ' 16' ' ' LYS . 16.7 tt0 -146.86 141.24 26.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.405 ' C ' ' H ' ' A' ' 12' ' ' THR . 32.2 t -89.8 113.18 55.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 9.86 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.57 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.1 m -105.21 -60.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 27.0 p -112.23 12.2 20.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 57.01 29.18 15.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.488 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 14.6 ttmt -90.41 114.27 26.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HE2' ' CD ' ' A' ' 9' ' ' GLU . 26.7 mttt -91.59 157.93 16.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.488 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 29.7 m-85 -135.98 -179.89 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.728 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -84.28 -38.18 20.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -136.95 175.06 9.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.51 ' HD3' HG11 ' A' ' 8' ' ' VAL . 9.4 mmtp -69.58 -50.98 39.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.443 ' O ' HG23 ' A' ' 25' ' ' VAL . 20.3 t80 -36.03 -56.69 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.648 ' HE2' HD11 ' A' ' 18' ' ' LEU . 13.0 m-85 -56.48 -38.37 71.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 20' ' ' LYS . 60.2 tp -67.59 -61.91 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -45.46 -41.89 9.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 21' ' ' TYR . 92.4 t -69.53 -40.02 79.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.524 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 3.6 t60 -72.33 -64.08 1.02 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.524 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -33.83 -51.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.5 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 37.3 mtt-85 -33.92 -47.75 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -38.81 -54.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.57 ' CG ' HG21 ' A' ' 12' ' ' THR . 87.1 m-70 -57.25 -56.79 17.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.3 p -65.02 122.08 16.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.144 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -111.5 57.16 0.44 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.7 -7.97 56.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.923 0.392 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -135.45 147.04 60.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.715 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.44 ' HB2' ' CD2' ' A' ' 36' ' ' PHE . 53.4 Cg_endo -69.74 -47.73 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.668 2.246 . . . . 0.0 112.332 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.44 ' CD2' ' HB2' ' A' ' 35' ' ' PRO . 61.2 m-85 -142.73 144.74 32.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 8.7 tt0 -148.55 138.94 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 t -54.91 108.06 1.05 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.62 0.724 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 2.73 3.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -99.8 -34.57 10.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.449 ' CB ' ' HG2' ' A' ' 60' ' ' MET . 31.6 p -128.99 -46.4 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.29 49.3 0.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.44 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 37' ' ' GLU . 16.5 tppt? -104.21 121.83 44.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.536 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 26.7 p -72.3 155.61 40.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.536 ' CG ' ' O ' ' A' ' 44' ' ' CYS . 5.8 m-85 -174.97 110.49 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.953 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.42 -41.63 89.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -86.09 123.3 31.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -52.65 63.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -49.61 -56.38 10.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -46.14 -47.44 17.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.8 tp -61.4 -46.7 89.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.3 mt -55.97 -44.83 78.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.99 -53.09 62.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.487 ' CE1' ' O ' ' A' ' 58' ' ' ASN . 1.2 t60 -46.76 -54.15 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.462 ' N ' ' CD2' ' A' ' 54' ' ' HIS . 6.9 mt-10 -34.57 -41.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.09 -44.31 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -54.48 -63.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.487 ' O ' ' CE1' ' A' ' 54' ' ' HIS . 11.3 m120 -147.34 141.92 26.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.0 t -174.48 161.34 3.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.449 ' HG2' ' CB ' ' A' ' 41' ' ' CYS . 16.1 mmt -41.48 103.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -134.04 -52.91 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -124.06 -53.86 1.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.0 t -84.76 162.89 19.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.462 ' O ' ' C ' ' A' ' 65' ' ' GLN . 58.4 mt-10 -150.23 174.13 13.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.462 ' C ' ' O ' ' A' ' 64' ' ' GLU . 14.8 tt0 -32.85 105.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 64' ' ' GLU . 28.0 m -95.8 160.06 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 1.8 m-85 -107.33 169.47 8.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.1 m -133.77 129.53 36.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.4 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 5.1 t -62.43 170.05 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.4 t -112.73 5.24 17.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.484 HG11 ' ND1' ' A' ' 89' ' ' HIS . 92.6 t -124.29 -48.8 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.0 p -113.19 -3.22 13.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 60.07 37.15 21.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.597 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 3.0 tp10 -58.89 -179.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.4 p -127.39 122.82 34.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.702 ' CE1' HD13 ' A' ' 82' ' ' LEU . 10.5 m-85 -126.31 175.81 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.08 -27.78 6.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -119.56 158.61 25.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.766 HH21 HD23 ' A' ' 82' ' ' LEU . 1.9 tpm_? -70.98 -47.88 56.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.2 tpt -55.7 -46.49 77.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -45.98 -54.74 7.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.766 HD23 HH21 ' A' ' 79' ' ' ARG . 14.2 tp -51.4 -42.28 61.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.435 ' HD3' ' NH1' ' A' ' 79' ' ' ARG . 12.3 mmm180 -60.19 -41.37 92.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.4 mt -72.21 -14.37 61.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -91.93 -42.78 9.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -49.8 -32.86 14.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.536 HG12 ' HG2' ' A' ' 93' ' ' MET . 3.2 m -51.05 -31.81 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.0 p -66.78 -28.05 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.484 ' ND1' HG11 ' A' ' 71' ' ' VAL . 73.6 m-70 -84.85 -54.39 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.2 t -65.64 -41.2 92.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 128.54 -40.52 1.7 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -171.54 147.91 2.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.536 ' HG2' HG12 ' A' ' 87' ' ' VAL . 3.6 mtt -57.73 150.64 46.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -30.31 22.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.342 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.456 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 85.2 m-85 -115.5 152.74 32.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.9 mtmm -154.18 145.84 23.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -81.62 -176.5 6.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.0 p -123.45 -44.18 2.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.6 m -70.97 -47.4 59.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.517 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 20.8 p -103.5 -19.27 14.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.2 m 69.47 31.76 3.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.517 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 5.0 mm100 -65.71 -175.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.429 ' HB3' ' CG ' ' A' ' 93' ' ' MET . 50.2 mt-30 -141.59 146.69 36.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 18.0 m-85 -147.33 163.48 36.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.46 ' HE2' ' HG2' ' A' ' 93' ' ' MET . 7.5 mmt -96.97 -28.08 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -118.09 152.37 35.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.456 ' HG3' ' CE1' ' A' ' 95' ' ' TYR . 6.2 ttpp -64.11 -54.64 30.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 6.2 pttm -51.43 -39.02 56.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.481 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 7.9 t0 -55.32 -36.94 66.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 26.6 tp -78.09 -51.61 10.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -49.01 -50.8 34.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 t -62.76 -40.7 98.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.513 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.2 t60 -59.51 -40.74 88.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 44.5 mtp -76.73 -25.9 54.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 21.0 mt -82.45 -23.17 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -93.34 -57.21 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.513 HD12 ' CE1' ' A' ' 113' ' ' HIS . 6.3 mt -77.8 -53.74 7.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.404 ' O ' ' N ' ' A' ' 120' ' ' GLY . 71.7 m-70 -88.46 37.52 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.2 t -57.97 85.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 118' ' ' HIS . . . 81.05 157.73 17.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.451 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -33.77 15.89 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.715 2.276 . . . . 0.0 112.301 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.9 m -163.71 117.68 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.1 m -82.79 105.59 13.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.491 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 m -77.97 119.92 22.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 110.826 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.8 m -146.01 152.86 40.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.52 42.12 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 m -121.91 93.84 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.2 p -61.94 148.28 44.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.38 171.38 28.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.684 ' HB ' HD22 ' A' ' 23' ' ' LEU . 34.8 m -84.9 166.7 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 111.154 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -145.41 143.91 30.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.462 ' C ' ' H ' ' A' ' 12' ' ' THR . 24.3 t -88.2 115.67 63.89 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 53.4 Cg_endo -69.78 19.56 0.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.703 HG21 ' CG ' ' A' ' 30' ' ' HIS . 6.6 m -118.25 -59.73 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.0 p -111.09 13.67 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 49.76 43.38 24.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.506 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 28.6 tttm -100.49 108.56 20.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -82.22 152.52 26.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.506 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 57.0 m-85 -133.04 -176.68 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.665 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -92.37 -39.62 11.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 t -130.9 144.47 51.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -52.08 -42.36 63.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.617 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.7 t80 -45.76 -34.97 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.478 ' HE2' HD11 ' A' ' 18' ' ' LEU . 7.5 m-85 -74.58 -34.83 62.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.684 HD22 ' HB ' ' A' ' 8' ' ' VAL . 43.2 tp -65.58 -54.8 22.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -55.26 -44.93 76.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 21' ' ' TYR . 89.0 t -66.86 -37.9 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.131 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -69.35 -42.37 75.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.476 ' ND2' ' HB ' ' A' ' 31' ' ' THR . 4.6 t30 -49.16 -25.24 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 27' ' ' ASN . 34.6 mtp180 -34.36 -38.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 27' ' ' ASN . 2.7 mmmp? -62.26 -59.57 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.703 ' CG ' HG21 ' A' ' 12' ' ' THR . 13.9 m-70 -76.09 -71.33 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.502 ' C ' ' O ' ' A' ' 30' ' ' HIS . 5.2 t 29.48 54.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.183 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.2 102.19 0.16 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -60.31 152.32 25.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.389 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.544 ' HE2' ' CE2' ' A' ' 46' ' ' PHE . 16.9 mmtp -125.73 150.03 67.26 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 110.927 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -47.98 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -135.42 163.62 29.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.426 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 31.9 tt0 -164.74 128.55 2.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.461 ' HA ' HD11 ' A' ' 51' ' ' LEU . 2.0 t -40.09 108.33 0.51 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.663 0.744 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 2.82 3.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.373 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.67 -41.76 6.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.4 ' HB2' ' SD ' ' A' ' 60' ' ' MET . 29.0 p -116.71 -42.38 2.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.09 35.15 1.69 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.426 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 21.2 tptp -95.37 113.86 25.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.737 0.303 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 71.6 m -77.12 150.52 35.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -160.06 108.18 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.544 ' CE2' ' HE2' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -42.46 -50.93 5.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -83.81 122.72 29.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -55.18 -44.08 74.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -49.82 -59.65 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -45.96 -46.24 16.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.461 HD11 ' HA ' ' A' ' 38' ' ' CYS . 21.1 tp -60.41 -54.17 48.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.3 mt -52.8 -52.7 55.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -48.4 -58.92 3.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.467 ' CD2' ' N ' ' A' ' 55' ' ' GLU . 2.3 t60 -47.1 -58.2 4.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.81 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.467 ' N ' ' CD2' ' A' ' 54' ' ' HIS . 13.2 mt-10 -33.73 -44.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.09 -45.76 11.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -54.4 -61.51 2.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -157.14 159.86 38.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 t -167.51 167.89 13.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.4 ' SD ' ' HB2' ' A' ' 41' ' ' CYS . 57.7 mtp -80.16 132.62 35.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -123.98 -48.08 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -61.73 129.05 39.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.3 t -135.64 109.75 8.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -115.66 131.28 56.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -74.15 103.32 4.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 77' ' ' ARG . 31.9 m -95.33 168.15 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.539 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 9.2 m-85 -117.95 147.92 42.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 94.5 m -112.72 130.44 56.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.467 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 5.9 t -58.01 171.72 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.7 t -111.59 -0.95 15.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.475 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 90.8 t -118.35 -50.17 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.8 p -111.91 -4.3 14.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.467 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 57.6 mm-40 61.75 33.69 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.595 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.8 tp10 -56.85 -176.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.1 p -126.36 126.63 44.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.692 ' CE1' HD13 ' A' ' 82' ' ' LEU . 9.5 m-85 -133.4 114.16 13.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.564 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -49.06 -33.55 11.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.437 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 35.8 mtt180 -124.36 169.25 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.539 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 2.6 tpp85 -75.41 -61.22 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' ARG . 3.8 tpt -35.58 -48.68 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -48.34 -52.08 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.692 HD13 ' CE1' ' A' ' 76' ' ' PHE . 42.5 tp -53.94 -39.81 66.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.3 mmm-85 -60.97 -42.89 99.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mt -73.48 -12.62 60.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.407 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 22.1 t60 -92.8 -43.19 9.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -48.7 -33.57 10.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 93' ' ' MET . 6.6 m -49.09 -34.27 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.9 p -65.44 -28.87 69.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.475 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 60.5 m-70 -83.83 -54.65 4.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.9 t -66.69 -41.31 88.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 131.24 -42.85 1.35 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -173.01 149.38 1.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.348 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.47 ' HG2' ' CG1' ' A' ' 87' ' ' VAL . 9.3 mtp -56.47 152.88 22.54 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.566 0.698 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -48.73 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.311 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.457 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 90.1 m-85 -90.39 150.9 21.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -154.32 144.4 21.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -76.01 -176.33 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.4 m -122.48 -46.54 2.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -68.01 -47.74 67.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.844 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.487 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.0 p -103.42 -22.52 13.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 t 73.81 31.57 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.487 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.7 mm100 -60.56 -174.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.52 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 33.8 mt-30 -140.93 142.72 34.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.4 m-85 -148.9 157.78 43.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.8 mmt -94.01 -27.84 16.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -116.1 149.59 38.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.457 ' HG3' ' CE1' ' A' ' 95' ' ' TYR . 1.7 ttpm? -63.78 -54.93 27.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -51.44 -36.83 45.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.434 ' N ' ' HG2' ' A' ' 108' ' ' LYS . 1.9 t70 -58.2 -37.25 74.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.4 tp -77.03 -51.21 11.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -48.23 -50.15 30.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.69 -41.06 98.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.528 ' CE1' HD12 ' A' ' 117' ' ' LEU . 5.2 t60 -59.26 -38.86 81.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.47 ' O ' ' C ' ' A' ' 118' ' ' HIS . 34.1 mtp -78.93 -29.26 44.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 21.2 mt -77.43 -29.83 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.02 -58.44 2.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.528 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.6 mt -77.28 -55.88 5.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.47 ' C ' ' O ' ' A' ' 114' ' ' MET . 92.0 m-70 -87.37 35.33 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.4 t -45.77 -52.81 10.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' A' ' 122' ' ' SER . . . -147.14 -142.01 3.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.449 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 12.49 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 120' ' ' GLY . 9.1 t -77.49 178.75 6.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 55.2 m 64.78 44.73 3.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.107 -0.83 . . . . 0.0 112.456 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 1' ' ' GLY . 94.9 p 35.89 41.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.844 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 p -127.69 150.25 49.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.83 -85.36 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t 66.97 39.87 3.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.895 0.378 . . . . 0.0 110.818 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.8 p -133.04 161.78 33.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.36 -165.31 11.07 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.438 HG11 ' HG2' ' A' ' 20' ' ' LYS . 15.6 m -88.84 172.35 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.117 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.408 ' CB ' ' HG2' ' A' ' 16' ' ' LYS . 13.6 tt0 -143.97 144.03 31.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.2 t -92.94 112.07 54.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.671 0.748 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 6.79 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.649 2.233 . . . . 0.0 112.401 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.434 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 3.4 m -100.16 -58.78 1.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.2 p -115.82 11.96 15.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 59.24 27.19 16.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.516 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 71.5 tttt -88.37 111.06 21.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HG2' ' CB ' ' A' ' 9' ' ' GLU . 32.0 mtmt -90.61 157.67 17.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.516 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 32.8 m-85 -135.65 -176.53 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.693 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -85.2 -39.95 17.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.9 t -135.16 171.44 14.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' LEU . 19.5 mmtt -67.48 -53.19 30.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.604 ' O ' HG23 ' A' ' 25' ' ' VAL . 75.3 t80 -37.69 -52.53 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.66 ' HE2' HD11 ' A' ' 18' ' ' LEU . 7.3 m-85 -57.72 -37.84 74.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 26' ' ' HIS . 12.6 tp -67.19 -64.46 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 8.8 pttp -43.37 -39.37 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 21' ' ' TYR . 98.3 t -68.96 -30.92 48.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' LEU . 4.8 t60 -82.25 -36.96 26.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 30' ' ' HIS . 9.5 t30 -57.75 -55.42 35.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 27' ' ' ASN . 19.2 ptt180 -34.31 -39.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -56.23 -48.71 75.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 27' ' ' ASN . 30.8 m-70 -49.87 -55.59 13.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.3 p -63.73 127.59 32.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.7 138.3 29.63 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -116.15 151.75 35.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.866 0.365 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.602 ' HE3' ' CE2' ' A' ' 46' ' ' PHE . 30.9 mttp -53.0 152.69 7.01 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.561 0.696 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -17.06 37.72 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.619 2.213 . . . . 0.0 112.386 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -140.08 154.74 47.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.424 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 35.3 tt0 -167.0 140.84 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.2 t -58.56 109.6 1.97 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.638 0.732 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 2.51 3.47 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.631 2.22 . . . . 0.0 112.338 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -100.98 -38.14 8.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.2 p -122.49 -44.59 2.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.63 31.89 1.71 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.424 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 1.2 tptm -86.19 105.93 16.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.745 0.307 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.9 p -71.88 147.95 46.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.505 ' N ' ' HD2' ' A' ' 34' ' ' LYS . 13.1 m-85 -157.88 127.11 5.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.602 ' CE2' ' HE3' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -52.06 -56.6 13.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.57 131.12 35.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -66.37 -36.8 83.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -62.26 -54.51 39.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -44.16 -52.29 7.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.2 tp -55.88 -54.04 49.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.4 mt -43.72 -43.1 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.6 -62.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -39.99 -49.3 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -43.33 -43.09 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.71 -46.02 10.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -53.97 -60.66 3.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -158.73 152.49 23.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.8 t -158.75 164.47 35.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 63.9 mtm -94.01 117.85 30.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -146.8 109.59 4.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -147.93 171.92 15.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.1 t -49.97 99.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.802 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -93.71 80.87 4.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -119.11 113.89 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 77' ' ' ARG . 28.9 m -117.14 167.87 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.535 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 11.5 m-85 -114.82 153.2 30.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 89.0 m -117.1 129.67 56.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.435 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.7 t -56.25 173.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.8 t -114.74 4.75 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.452 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 97.6 t -126.5 -47.95 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.4 p -113.91 -0.95 13.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.425 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 50.5 mm-40 57.58 37.18 27.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.599 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.4 tp10 -60.34 -175.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.9 p -126.09 127.0 45.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.599 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 16.1 m-85 -133.9 119.3 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.431 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -52.6 -32.6 42.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.833 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -126.47 170.29 12.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.535 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 6.8 tpt180 -76.37 -60.26 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 79' ' ' ARG . 2.5 tpt -36.4 -49.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -49.77 -47.97 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.48 HD13 ' CE1' ' A' ' 76' ' ' PHE . 19.1 tp -57.31 -38.25 73.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 83' ' ' ARG . 10.8 mmm180 -62.25 -44.19 97.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.0 mt -71.48 -14.8 62.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -88.67 -41.96 12.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.41 -27.16 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.458 HG12 ' CE ' ' A' ' 105' ' ' MET . 4.8 m -53.41 -34.05 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.3 t -65.55 -29.96 70.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.452 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 71.1 m-70 -84.25 -55.2 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 91' ' ' GLY . 7.5 t -68.28 -42.01 80.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.413 ' N ' HG23 ' A' ' 90' ' ' THR . . . 141.83 -68.54 0.46 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.453 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -151.21 170.25 19.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.489 ' CE ' ' HG2' ' A' ' 105' ' ' MET . 40.0 mtp -76.53 151.75 83.05 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -47.9 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.283 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 86.1 m-85 -91.06 149.43 21.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -152.89 145.36 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.05 -176.94 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.8 t -123.39 -45.66 2.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.6 m -67.92 -47.94 67.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.524 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 20.0 p -104.25 -16.89 15.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.8 m 67.91 31.95 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.524 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.3 mm-40 -64.44 -173.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.513 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 63.1 mt-30 -142.29 145.3 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 6.0 m-85 -148.18 161.39 41.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.489 ' HG2' ' CE ' ' A' ' 93' ' ' MET . 4.7 mmt -96.54 -26.46 15.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -116.76 159.98 21.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 69.2 tttt -74.82 -49.92 18.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 11.3 ptpt -56.9 -36.94 70.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.456 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 3.0 t70 -58.8 -36.09 73.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 24.3 tp -76.71 -51.79 10.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -48.1 -50.6 27.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.454 ' HA ' HD12 ' A' ' 115' ' ' ILE . 3.3 t -61.76 -43.67 98.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.509 ' CE1' HD12 ' A' ' 117' ' ' LEU . 3.6 t60 -58.32 -37.91 76.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.46 ' O ' ' C ' ' A' ' 118' ' ' HIS . 42.7 mtp -78.95 -24.92 43.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 112' ' ' SER . 19.3 mt -79.43 -30.99 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 112' ' ' SER . 2.2 mptt -86.82 -59.38 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.509 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.0 mt -74.56 -54.89 6.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.46 ' C ' ' O ' ' A' ' 114' ' ' MET . 74.6 m-70 -90.11 35.84 0.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.1 p -49.21 -47.33 46.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 110.43 149.38 12.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 176.81 6.25 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.747 2.298 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 60.3 p -153.68 162.79 40.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 26.1 p -109.2 -47.79 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.456 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m -98.56 92.76 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 110.885 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 t -170.64 139.59 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.922 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.5 132.8 6.99 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -98.47 111.48 23.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 t -92.93 117.73 30.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.45 -168.92 31.24 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.47 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.599 HG21 ' HB2' ' A' ' 23' ' ' LEU . 34.1 m -97.15 175.12 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -145.73 137.76 25.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.9 t -88.8 114.71 61.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.632 0.729 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 5.15 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.331 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.455 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.9 m -100.67 -58.5 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.151 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.2 p -115.21 14.85 17.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 53.04 27.86 6.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -89.85 109.46 20.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -85.15 159.15 20.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 26' ' ' HIS . 60.0 m-85 -137.42 176.47 8.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mp -69.88 -42.17 73.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.1 t -146.01 172.99 12.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.569 ' CD ' HG11 ' A' ' 8' ' ' VAL . 19.6 mmmt -60.1 -45.32 93.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.4 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 75.3 t80 -39.96 -52.22 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -63.84 -30.23 71.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.951 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.599 ' HB2' HG21 ' A' ' 8' ' ' VAL . 45.8 tp -71.15 -59.99 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 17.4 ptpt -48.49 -40.16 25.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.441 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 91.1 t -72.19 -38.16 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' ASN . 5.0 t60 -72.41 -62.84 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -35.11 -42.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.9 mtt-85 -39.13 -48.5 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -43.96 -49.88 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.455 ' CG ' HG21 ' A' ' 12' ' ' THR . 71.6 m-70 -56.47 -62.78 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.2 p -52.86 107.19 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.24 159.99 25.23 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -108.2 172.92 6.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.935 0.398 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 2.8 ptpp? -121.11 99.82 46.13 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.542 0.687 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 34' ' ' LYS . 54.1 Cg_endo -69.74 -48.34 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -125.4 145.96 49.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 25.0 tt0 -151.52 127.85 10.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.5 t -45.15 110.42 1.09 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.65 0.738 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 1.73 4.16 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.744 2.296 . . . . 0.0 112.365 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -100.69 -47.02 4.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.492 ' CB ' ' HB2' ' A' ' 60' ' ' MET . 27.9 p -110.18 -43.07 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.25 44.31 1.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.517 ' HE2' ' N ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -103.82 101.97 11.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.3 . . . . 0.0 110.859 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.517 ' N ' ' HE2' ' A' ' 43' ' ' LYS . 26.3 p -49.54 171.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.486 ' CD2' ' O ' ' A' ' 44' ' ' CYS . 9.9 m-85 -173.49 126.8 0.41 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -55.0 -47.0 75.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -109.15 152.78 24.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -75.55 -44.13 45.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -48.58 -56.17 9.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -49.91 -47.97 51.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.4 tp -52.19 -46.21 65.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.472 HD23 ' OE2' ' A' ' 55' ' ' GLU . 88.4 mt -53.81 -50.22 66.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -50.43 -44.88 55.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.489 ' CD2' ' C ' ' A' ' 54' ' ' HIS . 0.8 OUTLIER -62.92 -49.53 74.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.472 ' OE2' HD23 ' A' ' 52' ' ' LEU . 43.5 mt-10 -39.54 -43.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.05 -43.86 11.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -65.24 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -153.51 157.42 39.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 t -163.83 163.12 23.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.492 ' HB2' ' CB ' ' A' ' 41' ' ' CYS . 36.1 ttm -41.6 104.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -90.76 -54.64 3.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.485 ' HA ' ' CZ ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -66.42 102.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.0 t -123.2 95.33 4.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -171.37 123.98 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -96.6 104.74 16.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 77' ' ' ARG . 33.9 m -92.68 168.82 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 21.0 m-85 -118.17 148.85 41.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.9 m -112.18 128.53 56.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.438 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 4.7 t -55.57 173.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.1 t -115.03 4.86 14.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.806 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.461 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 87.1 t -126.18 -48.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.488 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.4 p -113.07 -2.24 14.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.438 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 7.2 mm100 60.5 34.93 20.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.608 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 1.1 tp10 -58.41 -178.58 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.7 p -124.71 126.79 46.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.696 ' CE1' HD13 ' A' ' 82' ' ' LEU . 10.7 m-85 -132.93 118.28 18.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.465 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -53.5 -32.3 49.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 -123.21 168.97 11.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 9.1 tpt180 -76.41 -63.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 79' ' ' ARG . 3.4 tpt -36.59 -47.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -47.96 -52.4 19.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.696 HD13 ' CE1' ' A' ' 76' ' ' PHE . 20.2 tp -54.76 -36.85 65.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -62.43 -44.56 96.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 87' ' ' VAL . 7.2 mt -70.82 -15.99 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.407 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 22.9 t60 -88.2 -40.09 13.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.25 -32.65 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.451 ' CG1' ' HG2' ' A' ' 93' ' ' MET . 3.9 m -52.4 -32.08 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.141 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.4 p -65.82 -28.84 69.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.461 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 62.8 m-70 -82.71 -55.91 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.2 t -68.9 -38.51 79.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 128.19 -53.12 0.81 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -157.06 151.63 25.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.86 0.362 . . . . 0.0 110.902 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.451 ' HG2' ' CG1' ' A' ' 87' ' ' VAL . 7.3 mtp -60.24 153.29 58.71 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.538 0.685 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -48.03 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.372 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -91.21 149.0 21.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.407 ' HG2' ' HG2' ' A' ' 103' ' ' GLN . 9.4 mtmt -152.02 151.54 31.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.1 -175.25 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.8 p -122.9 -45.8 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -69.65 -47.8 62.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.516 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 18.6 p -103.93 -15.39 15.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.5 m 64.66 33.75 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.516 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.0 mm-40 -64.03 -173.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.484 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 68.0 mt-30 -140.51 142.56 35.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 5.6 m-85 -147.26 160.42 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.1 mmt -99.44 -24.56 14.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -116.65 155.6 28.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -71.69 -49.98 34.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 4.7 pttm -56.15 -36.23 68.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.934 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.463 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 7.0 t0 -60.19 -36.96 78.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 24.5 tp -75.94 -49.15 18.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -52.49 -50.81 62.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.412 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 2.4 t -62.64 -38.51 90.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.522 ' CE1' HD12 ' A' ' 117' ' ' LEU . 5.3 t60 -63.73 -39.44 94.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 118' ' ' HIS . 39.4 mtp -76.57 -32.64 58.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.2 mt -76.98 -29.79 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.412 ' CD ' ' O ' ' A' ' 112' ' ' SER . 3.2 mptt -86.79 -58.28 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.522 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.8 mt -75.43 -55.29 5.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 114' ' ' MET . 75.4 m-70 -90.22 36.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 40.3 p -47.65 -48.32 28.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 119.92 178.38 16.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 152.69 69.36 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.315 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 81.3 p -118.36 170.87 8.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 26.8 m -153.46 149.94 28.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.486 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.2 t -50.88 119.1 3.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -96.31 -61.97 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.27 97.87 1.25 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p -51.13 -57.16 9.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -170.24 176.54 4.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.806 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.06 176.81 25.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.607 HG21 ' HB2' ' A' ' 23' ' ' LEU . 34.4 m -99.44 170.49 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 111.153 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -136.57 139.4 42.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -90.95 115.23 63.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.639 0.733 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 5.63 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.42 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 4.1 m -101.67 -56.62 2.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 p -117.05 15.38 15.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 51.67 29.04 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.814 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -91.79 113.9 26.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -81.84 161.9 23.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -143.62 169.34 17.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mp -61.09 -53.5 56.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 t -146.34 167.24 24.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' O ' ' C ' ' A' ' 21' ' ' TYR . 2.5 mptp? -43.75 -58.16 2.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.475 ' C ' ' O ' ' A' ' 20' ' ' LYS . 8.8 t80 -32.13 -60.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -55.89 -46.81 78.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.607 ' HB2' HG21 ' A' ' 8' ' ' VAL . 57.4 tp -52.75 -49.13 66.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -54.75 -66.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.7 t -42.84 -38.22 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.403 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 4.7 t60 -69.7 -60.66 2.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -40.08 -44.63 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 27' ' ' ASN . 69.5 mtp180 -35.42 -44.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -48.55 75.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' ASN . 12.8 m-70 -50.43 -44.21 55.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.0 p -81.76 112.49 18.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -121.9 -116.92 2.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -75.68 4.19 8.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.956 0.408 . . . . 0.0 110.922 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -132.95 89.72 33.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 -42.59 3.23 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.262 . . . . 0.0 112.287 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -138.39 117.29 12.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 22.0 tt0 -125.27 148.41 48.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.416 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 4.1 t -64.32 114.51 14.36 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.654 0.74 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -10.91 29.67 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.318 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' HD3' ' SG ' ' A' ' 38' ' ' CYS . 2.4 mptt -86.81 -46.68 9.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 38' ' ' CYS . 28.3 p -111.59 -47.26 3.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.24 38.48 1.36 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.44 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 13.4 tptm -98.08 118.82 35.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.8 p -78.53 158.45 28.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -160.92 109.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -40.61 -60.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -93.56 120.11 33.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' GLU . 38.2 tttt -46.45 -45.97 18.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' LYS . 23.7 tt0 -36.22 -49.63 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -59.58 -57.18 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.2 tp -45.58 -56.45 5.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.9 mt -43.96 -50.9 8.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -55.25 -66.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.558 ' CE1' ' HA ' ' A' ' 59' ' ' CYS . 1.3 t60 -37.58 -48.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -45.92 -43.64 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.24 -48.78 8.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -53.88 -60.5 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 54' ' ' HIS . 19.3 t-20 -165.62 151.24 9.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.558 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 17.8 t -139.43 141.82 37.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.414 ' CG ' ' O ' ' A' ' 59' ' ' CYS . 23.7 ptp 44.37 36.06 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -47.98 -49.96 28.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -59.2 118.9 6.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.5 t -105.37 -7.14 19.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -96.71 135.51 38.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -91.12 101.72 14.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.3 m -87.89 165.78 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 11.1 m-85 -112.51 151.8 29.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 94.5 m -115.49 123.08 47.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.434 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 4.5 t -47.36 175.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.6 p -114.55 4.41 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.476 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 85.5 t -127.36 -47.85 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.129 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.7 p -113.89 0.09 14.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.434 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 6.9 mm100 58.69 32.74 22.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.596 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -53.22 -174.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.869 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.6 p -127.7 126.17 41.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.154 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.596 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 13.5 m-85 -134.61 118.72 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.405 ' CD ' ' H ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -52.2 -32.84 38.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -125.67 167.46 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.55 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 15.9 ttp180 -72.52 -64.79 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 79' ' ' ARG . 4.6 tpt -33.07 -48.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -49.74 -49.03 49.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 79' ' ' ARG . 13.8 tp -55.29 -35.35 64.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -66.48 -45.1 80.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.04 -14.12 62.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -89.54 -42.07 11.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.05 -29.92 9.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.446 HG12 ' CE ' ' A' ' 105' ' ' MET . 5.5 m -49.41 -34.51 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.2 p -68.61 -27.69 66.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.476 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 48.6 m-70 -83.73 -51.89 6.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.5 t -74.16 -30.12 62.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 133.61 -65.18 0.59 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.41 ' OE1' ' C ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -159.61 174.69 14.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.913 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.413 ' SD ' ' HB3' ' A' ' 103' ' ' GLN . 4.3 mtt -76.56 148.48 80.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.706 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -47.4 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.651 2.234 . . . . 0.0 112.335 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 72.7 m-85 -96.2 151.28 19.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.412 ' HE3' ' O ' ' A' ' 93' ' ' MET . 0.4 OUTLIER -153.57 152.56 31.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 179.877 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -84.85 -179.03 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 63.5 m -121.47 -44.52 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -69.91 -48.64 57.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.808 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.496 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 22.8 p -102.14 -18.31 15.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.6 m 69.25 30.41 4.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.496 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.6 mm-40 -62.66 -174.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.478 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 74.6 mt-30 -140.87 143.97 35.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 8.0 m-85 -147.17 159.75 43.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.446 ' CE ' HG12 ' A' ' 87' ' ' VAL . 5.1 mmt -95.26 -25.57 16.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -118.25 157.03 27.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 48.8 tttt -71.59 -51.22 24.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 35.8 pttt -55.08 -37.5 66.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 3.0 t70 -58.13 -37.8 75.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.2 tp -75.55 -51.9 11.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -49.28 -50.2 40.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 t -62.84 -40.81 98.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.516 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.6 t60 -60.91 -38.1 84.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 45.6 mtp -78.93 -29.57 44.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.1 mt -78.26 -25.11 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -91.74 -57.38 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.516 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.7 mt -77.09 -54.31 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 120' ' ' GLY . 73.1 m-70 -88.67 37.75 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.0 t -57.97 84.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 118' ' ' HIS . . . -108.07 167.02 13.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.502 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 110.68 2.61 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.9 t -90.77 160.59 15.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 59.6 p -168.57 154.67 6.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.491 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -150.29 168.02 25.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 0.0 110.849 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.3 p -157.61 167.67 29.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.88 151.84 8.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.7 p -123.38 102.59 7.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 p -78.14 170.09 17.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.07 174.15 14.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.548 HG21 ' HB2' ' A' ' 23' ' ' LEU . 25.4 m -78.4 174.47 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.788 0.328 . . . . 0.0 111.114 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -140.65 145.63 36.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 39.0 t -96.18 115.31 65.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 8.34 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.498 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.6 m -105.01 -61.0 1.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 13.3 p -110.52 13.0 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 54.98 28.09 10.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.409 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 30.5 tttp -88.58 122.37 31.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -95.87 154.57 17.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -139.17 172.37 12.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.7 mt -59.99 -58.59 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 m -131.38 165.26 23.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' CG ' ' HE2' ' A' ' 24' ' ' LYS . 1.7 tppp? -56.9 -37.83 71.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -45.46 -54.13 7.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -61.75 -38.87 89.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.548 ' HB2' HG21 ' A' ' 8' ' ' VAL . 32.0 tp -59.05 -56.24 24.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' HE2' ' CG ' ' A' ' 20' ' ' LYS . 50.7 mttm -46.67 -59.1 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.3 t -51.31 -36.61 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.447 ' O ' ' C ' ' A' ' 27' ' ' ASN . 3.9 t60 -69.94 -58.3 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -34.01 -43.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 27' ' ' ASN . 70.3 mtt-85 -36.88 -48.41 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -43.7 -47.89 7.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.498 ' CG ' HG21 ' A' ' 12' ' ' THR . 65.5 m-70 -62.79 -55.37 27.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.0 p -61.54 157.35 17.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 136.52 66.35 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 33' ' ' GLU . 8.2 tt0 -133.13 5.96 3.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.961 0.41 . . . . 0.0 110.893 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -133.1 87.73 38.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.547 0.689 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 36' ' ' PHE . 54.0 Cg_endo -69.73 8.37 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.629 2.22 . . . . 0.0 112.348 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.575 ' CD1' ' HG2' ' A' ' 35' ' ' PRO . 68.6 m-85 -137.23 142.52 42.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.459 ' HG2' ' N ' ' A' ' 38' ' ' CYS . 36.7 tt0 -145.03 160.75 40.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.573 ' HA ' HD11 ' A' ' 51' ' ' LEU . 4.6 t -79.94 112.7 32.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.681 0.753 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 1.02 4.83 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -99.66 -41.47 7.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.8 p -120.08 -40.62 2.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.6 33.31 2.91 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.458 ' HD2' ' CZ ' ' A' ' 45' ' ' TYR . 5.5 tmtm? -94.98 111.74 23.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.1 m -67.59 158.1 32.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.458 ' CZ ' ' HD2' ' A' ' 43' ' ' LYS . 18.8 m-85 -150.1 146.16 26.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -62.06 -54.61 39.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -111.68 150.5 30.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' GLU . 24.2 tttt -56.96 -53.71 54.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' LYS . 3.3 mp0 -37.66 -59.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -47.77 -46.0 29.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.573 HD11 ' HA ' ' A' ' 38' ' ' CYS . 8.1 tp -62.01 -50.58 71.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.1 mt -53.05 -47.98 68.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 56' ' ' ALA . 59.7 mt-10 -58.75 -66.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.49 ' CE1' ' HA ' ' A' ' 59' ' ' CYS . 3.0 t60 -35.61 -42.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -59.79 -48.9 79.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 53' ' ' GLU . . . -75.61 -54.24 7.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -54.14 -61.58 2.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -168.17 124.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.49 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 15.8 t -96.02 -54.99 3.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.89 164.8 26.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -100.39 138.22 37.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -138.58 153.75 48.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 52.5 p -54.86 169.63 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -38.98 126.38 1.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -128.8 95.92 4.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 77' ' ' ARG . 29.0 m -69.79 168.38 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 26.8 m-85 -119.34 147.82 43.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.0 m -110.59 126.2 54.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.432 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.2 t -50.16 176.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 m -117.16 4.58 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.469 HG23 ' HE1' ' A' ' 86' ' ' MET . 92.0 t -127.96 -47.38 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.479 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.6 p -113.54 -0.47 14.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.411 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 5.7 mm100 58.28 34.81 24.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -57.27 -176.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.2 p -125.98 123.27 38.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 74' ' ' GLU . 9.2 m-85 -129.79 117.62 20.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.517 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -52.19 -33.27 40.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -123.66 165.93 16.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.565 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 12.5 tpt180 -72.72 -61.42 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 79' ' ' ARG . 2.6 tpt -35.92 -48.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -48.11 -51.78 23.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.474 HD13 ' CE1' ' A' ' 76' ' ' PHE . 18.5 tp -52.92 -37.11 60.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -64.74 -45.24 87.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.489 ' O ' HG22 ' A' ' 87' ' ' VAL . 6.4 mt -70.57 -16.38 62.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -87.21 -43.3 12.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.469 ' HE1' HG23 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -49.62 -32.54 13.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 84' ' ' LEU . 10.3 m -47.64 -35.92 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -66.38 -30.09 70.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.449 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 59.3 m-70 -81.56 -53.06 6.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.0 t -67.82 -40.35 83.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 130.64 -43.23 1.32 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -172.86 151.13 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.898 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.404 ' SD ' ' HB3' ' A' ' 103' ' ' GLN . 3.9 mtt -55.61 152.93 16.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -49.92 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 83.7 m-85 -93.89 152.92 18.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -155.08 146.24 22.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -79.3 -174.59 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.9 m -124.38 -45.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.575 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.3 t -70.73 -49.56 45.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.503 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.3 p -101.47 -15.73 17.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.0 m 66.02 31.98 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.503 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.3 mm-40 -62.32 -174.18 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.553 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 65.6 mt-30 -142.37 143.92 32.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.553 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.0 m-85 -147.11 165.52 29.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.1 mmt -99.87 -26.8 13.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -117.08 157.24 26.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 80.0 tttt -72.26 -50.86 23.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 33.9 pttt -55.58 -38.21 69.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.29 -36.02 72.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.6 tp -76.13 -51.15 12.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -49.29 -50.04 40.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.422 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 2.3 t -62.04 -41.2 97.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.512 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.2 t60 -59.42 -38.76 81.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.875 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.454 ' O ' ' C ' ' A' ' 118' ' ' HIS . 42.3 mtp -77.29 -31.66 54.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.2 mt -76.46 -28.75 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.422 ' CD ' ' O ' ' A' ' 112' ' ' SER . 0.5 OUTLIER -86.96 -56.63 3.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.802 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.512 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.9 mt -79.28 -56.13 4.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 95.4 m-70 -86.01 32.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.1 t -57.14 83.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 118' ' ' HIS . . . -85.84 165.65 38.47 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.453 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -31.83 20.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.71 2.274 . . . . 0.0 112.335 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 77.7 p 40.35 41.75 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.5 p 41.65 43.84 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.491 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -98.29 147.48 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -91.81 -63.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.22 -146.49 29.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 m 55.73 44.92 25.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.852 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -155.95 171.77 19.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.99 175.07 53.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.73 HG11 ' HD3' ' A' ' 20' ' ' LYS . 26.5 m -82.22 -179.62 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -152.2 148.74 27.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.431 ' C ' ' H ' ' A' ' 12' ' ' THR . 3.5 t -88.25 117.15 68.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.641 0.734 . . . . 0.0 110.85 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 12.34 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.721 2.28 . . . . 0.0 112.334 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.431 ' H ' ' C ' ' A' ' 10' ' ' CYS . 50.6 m -120.71 -58.39 1.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.9 p -100.84 -8.81 22.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 64.19 43.14 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.545 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 14.1 ttmm -103.79 109.31 20.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -77.33 140.22 39.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.545 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 70.9 m-85 -128.0 159.41 35.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.8 mt -49.55 -64.83 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 t -125.34 151.13 46.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.73 ' HD3' HG11 ' A' ' 8' ' ' VAL . 9.1 tppt? -44.87 -46.2 10.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.537 ' O ' HG23 ' A' ' 25' ' ' VAL . 36.7 t80 -37.27 -39.53 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -76.95 -36.88 56.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 20' ' ' LYS . 27.9 tp -67.54 -46.24 73.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -61.95 -38.49 88.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 21' ' ' TYR . 78.6 t -73.07 -38.52 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -70.31 -48.55 56.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.471 ' O ' ' C ' ' A' ' 28' ' ' ARG . 1.7 t30 -45.64 -43.12 12.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 27' ' ' ASN . 33.5 mtp180 -32.87 -39.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 27' ' ' ASN . 20.4 mttm -57.41 -53.43 58.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' ASN . 57.5 m-70 -53.54 -47.58 69.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.6 p -70.53 120.78 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.78 124.18 2.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -100.77 177.23 5.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.398 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 45' ' ' TYR . 36.5 mttp -122.17 144.15 40.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.699 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.513 ' HG2' ' CD2' ' A' ' 36' ' ' PHE . 53.5 Cg_endo -69.77 2.25 3.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.755 2.303 . . . . 0.0 112.324 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.513 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 60.7 m-85 -143.73 135.57 26.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.434 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 26.1 tt0 -154.52 156.48 36.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.1 t -76.55 113.05 25.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.582 0.706 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 1.88 4.05 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.623 2.215 . . . . 0.0 112.353 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -98.02 -38.55 9.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.4 p -124.56 -46.32 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.8 46.33 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.434 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 13.6 tptm -102.43 125.12 49.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.73 0.3 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 20.3 p -72.55 147.19 46.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.402 ' C ' ' HD3' ' A' ' 34' ' ' LYS . 6.6 m-85 -152.22 116.64 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -44.0 -57.64 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -97.82 149.3 22.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' GLU . 9.3 ttpp -73.94 -53.23 10.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' LYS . 14.6 mm-40 -36.55 -59.02 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -53.25 -46.7 69.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.2 tp -57.09 -52.46 65.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.3 mt -46.86 -40.21 13.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 54' ' ' HIS . 32.8 mt-10 -63.91 -65.17 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' GLU . 2.6 t60 -36.14 -48.7 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -40.26 -45.72 2.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -93.14 -43.47 8.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -54.25 -62.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.34 146.21 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.3 t -167.82 112.36 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.3 mmt 45.61 41.55 7.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 62' ' ' ARG . 4.7 m120 -54.51 100.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 61' ' ' ASN . 19.5 ttp180 33.88 42.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -101.8 137.67 39.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -79.91 157.16 26.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -82.76 101.02 10.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 77' ' ' ARG . 35.8 m -89.88 171.68 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 9.9 m-85 -116.07 150.39 37.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.9 m -115.05 130.93 57.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.436 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.7 t -60.72 172.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.4 t -114.84 5.99 15.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.445 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 87.0 t -126.48 -48.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.4 p -114.24 -1.89 13.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 58.03 39.65 26.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.592 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.2 tp10 -64.1 -176.52 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.4 p -127.91 125.68 40.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.592 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 8.2 m-85 -130.84 120.89 24.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.469 ' CD ' ' H ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -56.03 -31.52 63.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.894 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -120.96 174.5 6.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.586 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 4.2 tpt180 -84.76 -54.44 4.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.1 tpt -44.33 -48.95 9.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -47.6 -48.17 28.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.554 HD13 ' CE1' ' A' ' 76' ' ' PHE . 18.7 tp -55.22 -42.97 74.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -58.6 -46.13 87.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.409 ' O ' HG22 ' A' ' 87' ' ' VAL . 6.7 mt -69.18 -13.29 62.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.405 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 30.9 t60 -90.25 -43.52 10.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.809 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -30.93 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 93' ' ' MET . 7.0 m -50.43 -34.32 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.5 t -65.77 -29.05 69.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.445 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 69.7 m-70 -85.01 -54.65 4.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 91' ' ' GLY . 7.9 t -69.22 -42.77 75.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.432 ' N ' HG23 ' A' ' 90' ' ' THR . . . 144.65 -59.08 0.51 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.32 164.81 10.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.912 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.502 ' SD ' ' CB ' ' A' ' 103' ' ' GLN . 20.8 mtp -74.38 153.66 87.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.557 0.694 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -49.25 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -84.02 153.28 23.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -154.9 155.26 33.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -88.93 -175.58 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.7 t -123.79 -45.41 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 m -69.77 -51.03 37.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.428 ' SG ' ' HG3' ' A' ' 102' ' ' GLN . 31.8 p -99.32 -21.77 15.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 6.7 m 74.93 27.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.528 ' OE1' ' CZ ' ' A' ' 104' ' ' PHE . 1.2 mt-30 -60.3 -173.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.555 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 72.5 mt-30 -140.0 152.63 46.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 9.3 m-85 -158.93 156.23 29.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.42 ' HE3' ' HE3' ' A' ' 93' ' ' MET . 1.8 mtm -103.1 -20.22 14.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -117.83 144.72 45.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -56.34 -57.52 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 16.4 pttm -52.58 -37.09 57.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.478 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 36.1 t0 -56.11 -38.97 71.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.454 HD13 ' CE1' ' A' ' 104' ' ' PHE . 24.1 tp -83.17 -56.43 3.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -48.13 -49.86 30.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -63.25 -39.55 94.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.531 ' CE1' HD12 ' A' ' 117' ' ' LEU . 3.3 t60 -59.97 -40.7 89.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 118' ' ' HIS . 47.7 mtp -75.38 -28.8 59.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 19.1 mt -78.84 -27.67 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.165 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -90.73 -56.23 3.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.531 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.5 mt -76.69 -54.11 7.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 114' ' ' MET . 75.8 m-70 -90.66 35.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.8 t -50.4 -51.84 42.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -83.81 -163.01 34.59 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 135.8 31.43 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.5 t -173.34 125.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.6 t -153.01 154.39 34.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.186 -0.785 . . . . 0.0 112.501 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.1 t -139.19 120.84 15.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.945 0.402 . . . . 0.0 110.835 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -49.08 118.78 2.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.04 40.63 2.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -83.77 143.41 30.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 0.0 110.849 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 t -65.86 104.71 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.88 -169.83 13.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.442 HG11 ' HG2' ' A' ' 20' ' ' LYS . 29.6 m -86.57 -175.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -145.7 129.96 17.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 14' ' ' HIS . 42.4 t -79.83 112.93 33.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.654 0.74 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 3.01 3.01 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.463 HG21 ' CG ' ' A' ' 30' ' ' HIS . 6.1 m -98.55 -52.88 3.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.416 ' SG ' ' CB ' ' A' ' 15' ' ' LYS . 27.9 p -121.5 14.82 11.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 10' ' ' CYS . 56.0 m-70 54.19 25.0 5.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' HG2' ' CZ ' ' A' ' 17' ' ' PHE . 1.1 ttmp? -88.86 109.67 20.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -79.73 158.81 26.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.423 ' CZ ' ' HG2' ' A' ' 15' ' ' LYS . 73.7 m-85 -139.36 179.27 6.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 mp -68.04 -48.1 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.2 t -147.77 169.57 19.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' LEU . 2.7 mmmm -52.35 -49.0 65.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.596 ' O ' HG23 ' A' ' 25' ' ' VAL . 8.7 t80 -36.72 -43.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -70.8 -40.62 72.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.961 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 20' ' ' LYS . 65.9 tp -65.49 -52.51 52.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.417 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 3.2 ptpp? -59.88 -23.4 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 21' ' ' TYR . 69.5 t -93.11 -23.14 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -93.76 -19.94 20.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.498 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -56.25 -52.01 66.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.498 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -50.83 -41.71 57.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' ARG . 35.0 mmtt -36.62 -36.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.463 ' CG ' HG21 ' A' ' 12' ' ' THR . 87.8 m-70 -68.05 -62.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.1 p -47.66 164.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.17 74.7 2.49 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -104.8 3.46 31.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.386 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -142.7 148.09 44.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.61 0.719 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -49.38 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.401 ' CD2' ' HB2' ' A' ' 48' ' ' LYS . 74.1 m-85 -140.48 176.17 9.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 32.5 tt0 -166.79 138.36 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.543 ' CA ' HD11 ' A' ' 51' ' ' LEU . 4.4 t -53.49 110.18 1.9 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 54.1 Cg_endo -69.67 1.68 4.16 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.275 . . . . 0.0 112.37 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -100.4 -41.52 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.2 p -117.9 -42.25 2.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.56 40.45 1.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.408 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -98.68 123.27 42.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.727 0.299 . . . . 0.0 110.907 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.544 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 26.3 p -66.64 158.93 28.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 44' ' ' CYS . 23.8 m-85 -163.98 110.74 1.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -44.86 -50.93 10.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -104.38 120.83 42.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HB2' ' CD2' ' A' ' 36' ' ' PHE . 69.5 tttt -51.6 -48.69 63.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -40.28 -58.87 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -50.08 -56.99 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.543 HD11 ' CA ' ' A' ' 38' ' ' CYS . 35.6 tp -43.32 -59.07 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.2 mt -42.61 -43.63 3.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -63.47 -40.59 97.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -58.26 -52.85 63.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.817 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -39.52 -45.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.15 -47.08 13.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -54.46 -64.29 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -147.67 151.45 36.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.7 t -175.41 166.51 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.6 mtt -58.71 93.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -45.24 148.66 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.4 ttt85 -59.35 163.21 4.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.7 m -55.34 157.89 3.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 65' ' ' GLN . 15.0 mp0 -125.11 178.6 5.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 64' ' ' GLU . 16.0 tt0 -34.29 114.28 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.0 m -85.1 160.94 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -109.36 165.25 11.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 92.3 m -127.79 128.32 45.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.418 ' SG ' ' CE ' ' A' ' 86' ' ' MET . 6.5 t -58.33 170.28 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.2 t -113.27 6.91 17.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.44 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 60.1 t -125.24 -49.17 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.9 p -112.36 -6.13 14.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 63.23 35.85 12.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 3.2 tp10 -60.42 -178.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.8 p -125.47 126.64 45.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 9.7 m-85 -128.81 157.53 41.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -93.43 -30.48 15.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.408 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 23.3 mtt180 -127.04 163.58 23.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -67.74 -56.28 9.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.404 ' HE2' ' HB2' ' A' ' 83' ' ' ARG . 4.6 tpt -44.78 -50.06 10.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -44.28 -50.03 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.469 HD13 ' CE1' ' A' ' 76' ' ' PHE . 26.0 tp -59.25 -37.86 78.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.404 ' HB2' ' HE2' ' A' ' 80' ' ' MET . 17.4 mmm180 -63.02 -40.15 96.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 mt -74.72 -14.19 60.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.403 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 21.4 t60 -91.94 -41.44 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.418 ' CE ' ' SG ' ' A' ' 69' ' ' CYS . 0.1 OUTLIER -51.35 -33.17 28.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.413 ' CG1' ' HG2' ' A' ' 93' ' ' MET . 6.1 m -50.07 -33.81 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.2 p -65.26 -30.07 70.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.44 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 61.9 m-70 -82.02 -54.47 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.508 HG23 ' N ' ' A' ' 91' ' ' GLY . 6.2 t -68.02 -47.85 67.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.508 ' N ' HG23 ' A' ' 90' ' ' THR . . . 148.23 -50.89 0.57 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -172.61 171.02 4.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.626 ' HE2' ' HG2' ' A' ' 105' ' ' MET . 2.2 mtt -78.2 146.46 70.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -37.56 9.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.547 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 85.9 m-85 -107.1 154.85 20.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -156.62 147.71 22.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.5 t -81.17 -175.52 5.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.4 t -123.98 -47.4 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -67.1 -50.12 62.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.435 ' SG ' ' HG3' ' A' ' 102' ' ' GLN . 31.3 p -99.05 -24.15 15.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m 74.54 30.54 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.435 ' HG3' ' SG ' ' A' ' 100' ' ' CYS . 1.8 mt-30 -65.75 -175.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.615 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 66.7 mt-30 -139.72 149.51 43.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.615 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.0 m-85 -148.86 161.1 42.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.626 ' HG2' ' HE2' ' A' ' 93' ' ' MET . 5.7 mmt -96.0 -27.62 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -117.17 159.52 22.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.547 ' HG3' ' CE1' ' A' ' 95' ' ' TYR . 6.5 ttpp -71.26 -59.45 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.406 ' CD ' ' H ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -49.79 -35.47 22.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -57.62 -38.04 74.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.4 tp -77.63 -52.04 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -47.18 -49.94 21.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.454 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 1.4 t -63.53 -41.12 98.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.483 ' CE1' HD12 ' A' ' 117' ' ' LEU . 3.1 t60 -59.16 -39.42 82.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 118' ' ' HIS . 47.9 mtp -76.65 -30.71 56.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 19.1 mt -77.49 -28.56 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.454 ' CD ' ' O ' ' A' ' 112' ' ' SER . 1.1 mptm? -87.21 -57.57 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.494 ' N ' HD23 ' A' ' 117' ' ' LEU . 4.8 mt -76.52 -55.56 5.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' MET . 69.2 m-70 -89.16 34.24 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.0 t -40.24 -60.01 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -127.13 177.58 17.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 144.44 54.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 93.3 p -150.33 120.19 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 124' ' ' GLY . 26.3 m -98.18 42.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 123' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.1 p -149.19 177.37 9.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.343 . . . . 0.0 110.905 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -164.05 135.91 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.08 -163.86 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t -64.15 86.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.812 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -137.79 167.44 21.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.1 -169.37 42.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.428 HG11 ' HG3' ' A' ' 20' ' ' LYS . 27.6 m -77.11 -177.47 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 111.118 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -143.77 134.2 24.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.9 t -83.14 114.51 53.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.647 0.736 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 5.05 1.84 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.602 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.2 m -99.66 -52.84 3.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.4 p -122.94 13.46 9.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 57.41 24.96 10.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.414 ' HG2' ' CZ ' ' A' ' 17' ' ' PHE . 25.2 ttmt -88.71 113.62 24.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -82.55 162.54 21.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.433 ' CZ ' ' CG ' ' A' ' 26' ' ' HIS . 88.3 m-85 -143.82 175.57 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.3 mt -70.53 -57.31 4.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.9 t -129.33 163.45 25.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HG3' HG11 ' A' ' 8' ' ' VAL . 4.1 mppt? -58.23 -31.49 67.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.451 ' O ' HG23 ' A' ' 25' ' ' VAL . 54.3 t80 -52.1 -38.7 58.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -79.22 -29.75 42.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.96 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.3 tp -70.71 -47.93 57.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -61.13 -39.59 90.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 21' ' ' TYR . 86.7 t -73.23 -41.41 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.433 ' CG ' ' CZ ' ' A' ' 17' ' ' PHE . 4.2 t60 -67.18 -41.93 85.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -55.75 -46.84 77.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -41.31 -44.36 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -49.23 -49.96 40.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.602 ' CG ' HG21 ' A' ' 12' ' ' THR . 33.4 m-70 -46.54 -58.67 3.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.8 t -84.34 161.92 20.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.87 -172.34 0.62 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 pm0 -79.03 164.78 24.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.886 0.374 . . . . 0.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 21.7 mtmm -133.41 93.68 21.34 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.697 . . . . 0.0 110.925 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 34' ' ' LYS . 54.0 Cg_endo -69.73 -46.91 1.07 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.69 2.26 . . . . 0.0 112.378 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.5 ' HB3' HD22 ' A' ' 51' ' ' LEU . 64.0 m-85 -120.91 167.59 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 44' ' ' CYS . 40.4 tt0 -165.6 150.52 8.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.1 t -68.9 113.36 15.67 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.717 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.22 4.66 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -101.03 -45.68 5.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.8 p -113.38 -39.59 4.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.54 38.94 2.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' HD3' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -99.01 100.25 11.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.732 0.301 . . . . 0.0 110.925 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.534 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 25.9 p -44.63 167.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.534 ' CG ' ' O ' ' A' ' 44' ' ' CYS . 9.7 m-85 -175.25 111.04 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.99 -41.22 97.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -85.84 112.49 21.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -49.55 -56.54 9.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -47.37 -57.21 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -46.5 -48.6 19.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.5 HD22 ' HB3' ' A' ' 36' ' ' PHE . 31.9 tp -55.36 -53.37 57.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 74.0 mt -54.59 -42.19 70.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 56' ' ' ALA . 19.2 mt-10 -61.41 -64.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 59' ' ' CYS . 1.2 t60 -35.58 -46.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.19 -45.52 53.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' GLU . . . -83.3 -49.42 9.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.055 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -64.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -163.0 131.31 3.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 60' ' ' MET . 4.7 t -111.51 102.15 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.46 ' C ' ' O ' ' A' ' 59' ' ' CYS . 7.3 ptm -33.73 143.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -119.3 85.7 2.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.488 ' HD2' ' N ' ' A' ' 62' ' ' ARG . 0.2 OUTLIER -107.53 -173.66 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.8 m 62.66 47.2 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 65' ' ' GLN . 11.8 pt-20 -61.05 -175.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 64' ' ' GLU . 8.0 tt0 -34.97 112.95 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.3 m -80.4 162.75 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -108.63 168.13 9.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.0 m -132.03 124.98 30.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 7.3 t -56.17 169.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.9 t -112.9 5.7 17.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.572 HG11 ' ND1' ' A' ' 89' ' ' HIS . 98.4 t -123.29 -48.88 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.8 p -112.91 -6.24 13.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 63.47 35.63 11.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.595 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.8 tp10 -59.6 -178.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.3 p -126.89 127.54 45.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.595 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 9.4 m-85 -130.21 158.16 40.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -91.16 -32.3 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 69.6 mtt180 -127.61 160.25 32.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -62.36 -61.35 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.451 ' HE2' ' HB2' ' A' ' 83' ' ' ARG . 1.5 tpt -38.86 -50.8 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -43.63 -50.13 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.522 HD13 ' CE1' ' A' ' 76' ' ' PHE . 21.3 tp -55.28 -42.81 74.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.451 ' HB2' ' HE2' ' A' ' 80' ' ' MET . 5.3 mmp_? -58.6 -51.76 68.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.404 ' O ' HG22 ' A' ' 87' ' ' VAL . 5.6 mt -60.61 -19.17 57.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -89.62 -42.08 11.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -50.79 -34.11 26.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 84' ' ' LEU . 4.4 m -48.93 -33.27 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 m -66.34 -29.65 69.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.572 ' ND1' HG11 ' A' ' 71' ' ' VAL . 68.1 m-70 -83.3 -54.37 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 t -67.2 -40.59 86.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.78 -65.51 0.52 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -155.82 163.4 39.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.441 ' CG ' ' HB3' ' A' ' 103' ' ' GLN . 3.3 mtt -71.84 151.99 93.18 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.56 0.695 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -40.05 5.85 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.649 2.233 . . . . 0.0 112.343 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 87.0 m-85 -108.98 150.39 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -153.21 147.82 26.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.61 -178.24 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 t -118.42 -46.46 2.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.1 t -68.82 -54.38 16.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 32.0 p -94.11 -21.39 19.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.5 m 69.89 27.88 4.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -63.27 -175.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.517 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 59.7 mt-30 -136.81 152.04 49.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 5.4 m-85 -149.66 160.22 43.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.8 mmt -97.35 -26.36 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -122.61 151.84 41.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 20.3 tttp -64.74 -49.04 72.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -58.02 -27.19 63.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.28 -32.44 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.435 HD13 ' CE1' ' A' ' 104' ' ' PHE . 16.5 tp -80.49 -48.82 12.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -51.38 -52.3 47.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.408 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 2.9 t -61.53 -36.56 80.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.587 ' CE1' HD12 ' A' ' 117' ' ' LEU . 2.7 t60 -63.25 -39.91 95.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 118' ' ' HIS . 38.4 mtp -75.86 -26.6 57.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.9 mt -80.64 -27.43 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 112' ' ' SER . 5.5 mptt -90.24 -59.29 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.587 HD12 ' CE1' ' A' ' 113' ' ' HIS . 7.2 mt -73.42 -52.58 13.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' MET . 84.2 m-70 -94.51 38.43 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.7 t -55.66 -51.02 68.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 81.57 169.39 42.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.1 69.3 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.242 . . . . 0.0 112.349 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 96.0 p -102.49 115.56 30.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 73.0 m -147.02 117.63 7.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.819 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.516 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -114.89 116.65 28.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 p -118.53 174.29 6.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.58 100.78 0.15 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -93.74 43.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 110.851 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 p -70.88 173.7 7.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.08 169.52 26.63 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.6 m -66.81 167.74 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -135.92 136.9 40.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.0 t -85.8 115.55 62.12 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 4.8 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.364 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.426 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 3.1 m -100.06 -54.57 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.101 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.2 p -119.68 12.97 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 54.84 28.21 10.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.472 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 10.2 ttmm -90.05 110.7 21.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -85.46 158.88 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.472 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 56.0 m-85 -138.2 -179.58 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.429 HD12 ' H ' ' A' ' 18' ' ' LEU . 5.8 mp -73.56 -52.34 13.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.52 173.99 11.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -59.38 -47.63 84.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -38.07 -53.77 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -59.38 -50.84 72.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.6 tp -53.51 -41.4 66.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -62.72 -51.01 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.4 -34.91 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.484 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 4.3 t60 -73.36 -63.54 1.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.484 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -38.2 -50.42 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.471 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 28.0 mtt180 -37.27 -42.49 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -53.79 -45.17 70.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.426 ' NE2' ' HB ' ' A' ' 12' ' ' THR . 17.9 m-70 -51.78 -40.98 61.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.5 p -82.04 142.47 32.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.07 44.05 2.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -130.38 4.38 4.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -122.71 100.24 41.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.612 0.72 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -35.42 12.71 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.656 2.237 . . . . 0.0 112.333 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.556 ' CE2' ' HE3' ' A' ' 48' ' ' LYS . 84.5 m-85 -136.38 153.23 51.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 49.4 tt0 -158.49 128.83 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.527 ' HA ' HD11 ' A' ' 51' ' ' LEU . 4.3 t -47.8 110.92 1.5 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.605 0.716 . . . . 0.0 110.833 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 0.54 5.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.391 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -97.96 -42.08 7.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.492 ' CB ' ' HB3' ' A' ' 60' ' ' MET . 19.9 p -117.75 -47.0 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.64 36.01 0.94 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.425 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 13.8 tptm -93.72 114.86 27.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.2 p -68.58 149.43 49.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -155.04 119.4 4.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -51.01 -55.43 17.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -97.64 134.25 41.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.556 ' HE3' ' CE2' ' A' ' 36' ' ' PHE . 14.3 ttmt -59.52 -46.07 89.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -39.58 -60.67 0.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -50.88 -55.16 18.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.527 HD11 ' HA ' ' A' ' 38' ' ' CYS . 23.5 tp -47.1 -58.9 3.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.7 mt -48.91 -42.71 37.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.13 -48.14 83.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.509 ' CE1' ' HA ' ' A' ' 59' ' ' CYS . 2.3 t60 -54.02 -38.71 65.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -55.47 -63.46 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.23 -49.24 70.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -53.49 -63.32 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -168.86 130.03 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.509 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 8.9 t -110.35 144.74 38.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.492 ' HB3' ' CB ' ' A' ' 41' ' ' CYS . 18.6 tmm? -41.29 133.15 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -93.36 118.88 31.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -79.33 44.96 0.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.3 p -108.24 89.22 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -163.58 149.85 11.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -112.65 93.88 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.9 m -74.45 166.7 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 10.4 m-85 -112.66 151.28 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 96.0 m -115.11 127.93 55.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.429 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 5.8 t -56.86 171.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.0 t -112.43 5.96 18.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.496 HG11 ' ND1' ' A' ' 89' ' ' HIS . 90.9 t -126.43 -48.7 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 27.2 p -113.78 -2.41 13.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.429 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 36.9 mm-40 60.08 35.01 21.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.597 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -58.79 -175.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.1 p -127.19 127.47 44.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.597 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 8.4 m-85 -133.6 118.47 18.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.413 ' CD ' ' H ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -51.69 -33.9 36.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.405 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 14.8 mtp180 -124.59 169.55 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.556 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 12.3 tpt180 -75.42 -59.78 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' ARG . 2.9 tpt -37.3 -49.12 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -48.37 -48.69 36.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.528 HD13 ' CE1' ' A' ' 76' ' ' PHE . 25.6 tp -56.43 -38.49 71.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -62.41 -44.67 95.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.06 -13.84 62.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -90.73 -41.99 10.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.11 -32.39 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.413 HG12 ' CE ' ' A' ' 105' ' ' MET . 10.4 m -48.24 -35.35 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.091 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.7 m -65.79 -29.5 70.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.496 ' ND1' HG11 ' A' ' 71' ' ' VAL . 64.6 m-70 -83.92 -55.16 4.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 91' ' ' GLY . 7.8 t -65.77 -43.66 88.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.437 ' N ' HG23 ' A' ' 90' ' ' THR . . . 138.03 -47.02 0.96 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.468 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.22 153.28 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.369 . . . . 0.0 110.854 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.501 ' HG2' ' HE2' ' A' ' 105' ' ' MET . 7.5 mtp -51.73 152.98 4.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -34.89 13.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.384 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -103.03 144.34 31.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.404 ' HE2' ' O ' ' A' ' 93' ' ' MET . 8.9 mtmt -150.41 149.04 29.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -81.79 -174.44 5.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.9 p -122.97 -46.01 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.466 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.8 t -70.25 -48.24 57.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.868 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.511 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 19.8 p -102.62 -17.55 15.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.848 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.4 m 66.42 35.35 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.511 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.4 mm-40 -64.97 -174.75 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -140.79 140.46 34.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 6.2 m-85 -144.93 157.29 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.501 ' HE2' ' HG2' ' A' ' 93' ' ' MET . 11.0 mmt -94.27 -26.58 16.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -116.74 154.35 30.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -67.29 -51.01 57.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 9.2 ptpp? -55.51 -39.91 71.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 6.9 t0 -55.44 -36.65 66.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' A' ' 104' ' ' PHE . 19.2 tp -80.71 -49.34 11.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -49.75 -52.02 34.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.7 t -62.75 -41.67 99.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.525 ' CE1' HD12 ' A' ' 117' ' ' LEU . 5.7 t60 -57.67 -37.72 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.464 ' O ' ' C ' ' A' ' 118' ' ' HIS . 38.6 mtp -80.6 -26.04 38.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.5 mt -80.19 -29.22 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.63 -59.09 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.525 HD12 ' CE1' ' A' ' 113' ' ' HIS . 4.7 mt -76.69 -54.63 6.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.466 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 92.4 m-70 -88.08 32.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 118' ' ' HIS . 97.7 p -35.7 -48.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 130.58 142.65 5.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -176.87 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.7 m -112.63 -54.6 2.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 21.4 t -74.72 -50.87 15.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.475 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 m -137.8 110.89 7.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.834 0.349 . . . . 0.0 110.804 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.7 m -108.23 151.83 25.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.87 -154.82 22.13 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m 53.9 41.12 32.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.847 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -139.39 166.64 24.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.61 -172.6 32.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.441 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.9 m -93.46 169.02 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 0.0 111.095 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.401 ' OE2' ' HE2' ' A' ' 16' ' ' LYS . 27.5 tt0 -139.81 131.93 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.2 t -78.7 114.85 47.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.649 0.738 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 5.05 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.739 2.292 . . . . 0.0 112.351 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.502 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.7 m -100.43 -54.42 2.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 25.3 p -121.81 17.1 11.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 52.97 25.83 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 32.1 tttt -85.25 106.86 16.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HE2' ' OE2' ' A' ' 9' ' ' GLU . 41.5 mttt -79.68 160.6 26.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.44 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 63.5 m-85 -139.91 -178.2 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.674 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -85.43 -39.85 17.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -135.77 174.26 10.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.43 -48.78 38.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.614 ' O ' HG23 ' A' ' 25' ' ' VAL . 74.6 t80 -39.49 -43.58 1.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.621 ' HE2' HD11 ' A' ' 18' ' ' LEU . 8.3 m-85 -69.22 -39.61 78.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' LYS . 27.3 tp -62.51 -54.17 43.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 18.3 ptmt -56.33 -43.63 79.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 21' ' ' TYR . 80.1 t -66.7 -39.79 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -67.15 -49.73 63.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -42.98 -42.43 3.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.7 mtp85 -44.69 -46.34 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.62 -45.87 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.502 ' CG ' HG21 ' A' ' 12' ' ' THR . 34.5 m-70 -56.98 -62.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 31' ' ' THR . 9.6 t -94.63 114.52 26.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.97 -61.42 0.53 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -48.99 161.87 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.496 ' HD3' ' N ' ' A' ' 46' ' ' PHE . 53.6 mttm -145.43 143.38 19.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.585 0.707 . . . . 0.0 110.893 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.568 ' HG2' ' CD2' ' A' ' 36' ' ' PHE . 53.5 Cg_endo -69.77 4.62 2.09 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.665 2.243 . . . . 0.0 112.363 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.568 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 53.6 m-85 -141.56 133.1 26.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 44' ' ' CYS . 35.7 tt0 -160.93 134.89 6.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 33.9 t -54.07 113.12 4.57 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.617 0.723 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 54.1 Cg_endo -69.72 -3.08 11.27 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.52 -41.55 10.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.937 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.7 p -119.66 -47.7 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.04 26.37 2.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -83.05 105.87 14.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 6.1 p -69.07 151.7 46.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.436 ' C ' ' HD3' ' A' ' 34' ' ' LYS . 12.5 m-85 -154.4 129.81 9.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.496 ' N ' ' HD3' ' A' ' 34' ' ' LYS . 8.0 t80 -53.24 -54.15 40.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.25 145.86 27.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HD2' HD23 ' A' ' 51' ' ' LEU . 46.9 tptt -67.07 -42.36 84.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -42.93 -66.1 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -46.93 -48.48 21.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.468 HD23 ' HD2' ' A' ' 48' ' ' LYS . 54.4 tp -55.79 -50.01 71.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.2 mt -51.44 -45.94 62.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 54' ' ' HIS . 43.0 mt-10 -58.2 -65.44 0.65 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 55' ' ' GLU . 2.5 t60 -35.45 -57.48 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' HIS . 5.1 mm-40 -34.37 -44.22 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.15 -41.3 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -54.22 -61.07 2.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -159.12 152.31 22.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.6 t -167.34 121.22 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.8 ptm -39.49 159.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -105.48 126.97 52.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -69.74 172.28 7.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.6 p 49.64 40.95 20.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.471 ' O ' HG13 ' A' ' 66' ' ' VAL . 12.3 pt-20 -86.78 -173.01 4.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -45.86 116.67 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 64' ' ' GLU . 6.8 m -117.83 164.17 14.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 12.1 m-85 -110.5 155.41 22.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 85.0 m -121.42 127.14 50.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.134 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.4 t -58.61 170.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.2 t -112.91 2.99 16.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.443 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 62.0 t -121.49 -48.45 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.441 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.4 p -113.22 -4.26 13.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 60.5 36.94 19.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 3.2 tp10 -59.25 -178.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.1 p -128.22 123.38 34.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.185 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 11.5 m-85 -125.97 161.44 27.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -95.9 -31.97 12.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.438 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 38.6 mtt-85 -123.49 158.68 30.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 6.6 ttp-105 -65.74 -62.26 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.1 tpt -38.86 -47.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -46.63 -50.62 17.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.456 HD13 ' CE1' ' A' ' 76' ' ' PHE . 29.1 tp -55.77 -37.88 69.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -62.4 -43.15 99.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 87' ' ' VAL . 7.1 mt -72.25 -13.34 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -90.92 -43.38 10.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -53.19 -34.75 58.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 84' ' ' LEU . 4.2 m -50.33 -32.52 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.9 p -70.12 -28.12 65.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.443 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 29.5 m-70 -79.68 -47.17 15.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.4 t -76.58 -35.8 57.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 130.8 -56.83 0.74 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -157.48 144.89 18.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.332 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.428 ' SD ' ' HB3' ' A' ' 103' ' ' GLN . 4.9 mtt -42.19 155.46 0.25 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.586 0.708 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -32.0 19.11 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 88.9 m-85 -117.81 149.12 41.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.97 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -153.99 149.0 26.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.08 -175.47 5.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.9 p -120.49 -47.56 2.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.501 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.6 t -67.66 -52.67 35.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 30.6 p -94.96 -26.05 16.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t 74.97 26.45 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -62.34 -175.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.539 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 57.7 mt-30 -137.11 152.23 49.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.539 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 8.0 m-85 -151.4 155.71 39.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.2 mmt -92.87 -26.14 17.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -114.86 165.46 12.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 20.3 ttmt -81.9 -47.52 12.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -32.4 70.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -62.04 -37.69 85.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.2 tp -75.76 -52.23 10.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -48.69 -50.5 33.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.444 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 2.2 t -65.01 -35.7 82.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.834 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.598 ' CE1' HD12 ' A' ' 117' ' ' LEU . 3.0 t60 -62.8 -39.2 93.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 118' ' ' HIS . 44.7 mtp -77.2 -28.79 53.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 16.9 mt -78.96 -23.36 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.444 ' CD ' ' O ' ' A' ' 112' ' ' SER . 2.4 mptp? -95.97 -56.74 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.598 HD12 ' CE1' ' A' ' 113' ' ' HIS . 6.3 mt -75.66 -45.15 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.501 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 96.3 m-70 -102.42 45.67 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.7 t -75.88 48.61 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.93 -179.31 32.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 132.34 23.09 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.633 2.222 . . . . 0.0 112.332 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.2 m -142.32 135.93 29.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.2 t -123.78 111.43 16.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.488 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -174.45 131.04 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.6 m -61.19 121.44 12.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.77 -145.42 4.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -95.39 81.7 3.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.87 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 m -131.67 173.6 10.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.95 -165.14 14.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 m -99.21 168.6 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -137.25 145.75 43.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.4 t -94.28 116.43 66.41 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.63 0.729 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 8.67 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.334 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.451 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.8 m -104.42 -55.56 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.9 p -118.93 15.35 13.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 50.25 34.79 9.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -95.59 112.15 23.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -82.91 155.72 23.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -133.63 172.37 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.693 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -80.56 -39.42 27.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.4 p -135.73 159.8 40.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 21' ' ' TYR . 3.0 mppt? -57.25 -57.19 13.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.468 ' C ' ' O ' ' A' ' 20' ' ' LYS . 32.2 t80 -32.44 -62.53 0.23 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.653 ' HE2' HD11 ' A' ' 18' ' ' LEU . 7.3 m-85 -47.68 -53.02 16.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.9 tp -48.4 -50.44 30.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.53 -65.7 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.2 t -45.5 -29.92 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -77.01 -55.19 5.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.52 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -44.64 -52.89 7.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.52 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 61.6 mtt180 -36.5 -41.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -55.28 -46.68 76.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.451 ' CG ' HG21 ' A' ' 12' ' ' THR . 9.6 m-70 -51.36 -64.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.0 p -47.28 -44.37 23.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.69 -130.92 35.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -108.94 146.54 33.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.496 ' CB ' ' HB3' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -126.03 81.34 66.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.568 0.699 . . . . 0.0 110.928 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.448 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 53.5 Cg_endo -69.76 4.9 1.92 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 35' ' ' PRO . 19.6 m-85 -143.58 150.79 39.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.416 ' OE2' ' O ' ' A' ' 42' ' ' GLY . 61.1 tt0 -154.77 127.32 7.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.514 ' CA ' HD11 ' A' ' 51' ' ' LEU . 3.8 t -42.21 110.32 0.81 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.636 0.731 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 0.35 5.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.28 . . . . 0.0 112.326 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -98.15 -46.12 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.4 p -112.17 -45.07 3.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.416 ' O ' ' OE2' ' A' ' 37' ' ' GLU . . . 111.14 42.96 1.04 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.59 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 6.0 tmtt? -100.98 109.83 21.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.731 0.301 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.496 ' HB3' ' CB ' ' A' ' 34' ' ' LYS . 75.5 m -61.05 153.91 24.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.59 ' CE2' ' HD2' ' A' ' 43' ' ' LYS . 16.8 m-85 -153.11 139.9 19.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -50.42 -58.26 6.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -116.24 164.59 14.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -71.38 -52.44 18.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -38.81 -54.39 1.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -54.93 -50.65 68.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.514 HD11 ' CA ' ' A' ' 38' ' ' CYS . 24.9 tp -48.76 -51.15 30.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.8 mt -50.47 -44.32 55.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -55.55 -38.25 69.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 54' ' ' HIS . 1.5 t60 -69.15 -52.07 31.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -43.49 -42.97 5.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.74 -48.17 9.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -56.39 -63.58 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.419 ' O ' ' CE1' ' A' ' 54' ' ' HIS . 0.3 OUTLIER -159.57 139.01 11.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.412 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 5.7 t -128.3 -61.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 24.2 mmm -128.14 41.78 3.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -110.1 91.03 3.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -172.57 130.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.4 t -125.59 44.14 2.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -113.89 88.92 2.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -50.13 105.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.6 m -78.23 158.67 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -111.61 161.09 16.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.3 m -126.28 129.51 49.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.136 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.472 ' SG ' ' CE ' ' A' ' 86' ' ' MET . 7.4 t -61.73 169.64 2.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.7 t -111.46 -1.05 16.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.473 HG11 ' ND1' ' A' ' 89' ' ' HIS . 95.0 t -115.43 -50.21 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.5 p -111.85 -6.34 14.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.404 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 14.1 mm100 63.73 32.82 13.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.599 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.4 tp10 -56.35 -179.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.6 p -126.34 127.0 44.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.599 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 6.4 m-85 -128.47 178.94 5.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.26 -31.42 4.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -122.76 150.86 42.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.444 HH21 HD23 ' A' ' 82' ' ' LEU . 3.5 tpm_? -57.97 -56.54 20.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.446 ' HE2' ' HB2' ' A' ' 83' ' ' ARG . 4.6 tpt -46.04 -53.31 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -40.92 -53.21 2.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.546 HD13 ' CE1' ' A' ' 76' ' ' PHE . 24.7 tp -55.88 -39.7 71.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.446 ' HB2' ' HE2' ' A' ' 80' ' ' MET . 23.9 mmt180 -62.01 -40.12 94.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.2 mt -73.41 -14.69 61.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.406 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 21.8 t60 -91.64 -42.9 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.472 ' CE ' ' SG ' ' A' ' 69' ' ' CYS . 0.1 OUTLIER -50.23 -36.79 32.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.406 ' H ' HG13 ' A' ' 87' ' ' VAL . 3.3 m -49.04 -35.53 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.177 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.2 t -62.26 -31.13 71.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.473 ' ND1' HG11 ' A' ' 71' ' ' VAL . 57.9 m-70 -77.58 -32.58 53.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.6 t -107.28 24.15 13.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.08 -61.68 4.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.85 173.72 12.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.452 ' CG ' ' HB3' ' A' ' 103' ' ' GLN . 3.8 mtt -61.05 153.64 65.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 110.874 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -34.87 13.53 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.693 2.262 . . . . 0.0 112.302 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 77.7 m-85 -112.8 148.97 33.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -152.87 145.67 24.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -79.44 -175.84 4.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.2 t -123.19 -44.31 2.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.529 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.4 t -70.44 -47.26 61.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.505 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 20.7 p -103.67 -18.07 14.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.0 m 66.81 36.91 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.505 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.8 mm-40 -68.43 -174.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.452 ' HB3' ' CG ' ' A' ' 93' ' ' MET . 63.1 mt-30 -142.11 140.62 32.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 5.3 m-85 -142.72 161.63 37.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.9 mmt -95.94 -27.76 15.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -117.06 154.66 30.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 80.9 tttt -67.95 -51.27 49.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.8 -38.78 67.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -55.77 -38.44 69.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.3 tp -75.68 -52.27 10.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -48.2 -50.16 30.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -63.31 -40.41 97.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.541 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.7 t60 -59.72 -40.14 87.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.457 ' O ' ' C ' ' A' ' 118' ' ' HIS . 40.0 mtp -77.66 -28.93 51.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 21.0 mt -77.89 -28.14 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -88.08 -58.1 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.541 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.6 mt -78.05 -54.66 6.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.529 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 95.1 m-70 -87.28 35.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.2 t -59.42 -47.23 86.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.498 ' C ' ' H ' ' A' ' 122' ' ' SER . . . -45.31 163.77 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.523 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.529 ' O ' ' C ' ' A' ' 122' ' ' SER . 54.0 Cg_endo -69.69 24.74 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.529 ' C ' ' O ' ' A' ' 121' ' ' PRO . 68.8 p -26.52 104.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 71.5 p -47.7 132.51 14.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.121 -0.821 . . . . 0.0 112.498 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.721 HG11 ' HD3' ' A' ' 20' ' ' LYS . 35.8 m -73.71 -175.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.154 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -153.5 140.37 19.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.404 ' C ' ' H ' ' A' ' 12' ' ' THR . 8.2 t -81.44 117.1 66.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.636 0.731 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 9.87 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.404 ' H ' ' C ' ' A' ' 10' ' ' CYS . 79.9 m -114.09 -59.46 2.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.5 p -100.62 -12.98 18.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 72.6 m-70 69.47 44.07 0.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -107.97 110.1 21.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -74.09 152.2 39.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -133.35 178.77 6.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.691 HD21 ' HE2' ' A' ' 22' ' ' TYR . 1.9 pp -80.59 -36.4 32.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.449 ' HB2' HD12 ' A' ' 18' ' ' LEU . 41.1 t -144.32 144.57 31.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.721 ' HD3' HG11 ' A' ' 8' ' ' VAL . 7.6 tppt? -48.17 -46.15 34.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' LYS . 15.9 t80 -36.6 -59.82 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.691 ' HE2' HD21 ' A' ' 18' ' ' LEU . 25.3 m-85 -59.0 -46.1 89.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.948 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.705 HD22 ' CG2' ' A' ' 8' ' ' VAL . 38.7 tp -52.39 -50.52 62.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -55.83 -64.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.1 t -49.17 -31.54 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -69.93 -43.81 70.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.44 ' C ' ' ND2' ' A' ' 27' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.44 ' HB3' HD22 ' A' ' 51' ' ' LEU . 89.3 m-85 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.871 0.367 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.454 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 34.4 tt0 -164.48 130.61 2.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.593 ' HA ' HD11 ' A' ' 51' ' ' LEU . 6.9 t -44.92 112.05 1.41 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.674 0.75 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -2.37 10.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -95.78 -45.84 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.3 p -111.91 -46.01 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.14 37.32 1.25 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.455 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 2.9 tmtt? -95.7 111.78 23.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 29.7 p -66.17 133.66 51.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.466 ' CD2' ' HA ' ' A' ' 51' ' ' LEU . 5.2 m-85 -134.9 100.87 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' TYR . 9.5 t80 -37.09 -53.45 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -93.03 133.32 36.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -58.55 -51.93 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 30.6 mp0 -42.63 -50.99 5.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -56.34 -45.54 80.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.593 HD11 ' HA ' ' A' ' 38' ' ' CYS . 17.5 tp -54.69 -54.32 43.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.982 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 55' ' ' GLU . 73.2 mt -51.65 -56.1 15.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 54' ' ' HIS . 60.5 mt-10 -48.04 -66.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.48 ' CD2' ' N ' ' A' ' 55' ' ' GLU . 3.6 t60 -34.86 -61.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.48 ' N ' ' CD2' ' A' ' 54' ' ' HIS . 2.8 mm-40 -34.51 -44.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.04 -47.38 10.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -53.7 -60.94 2.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.422 ' O ' ' CE1' ' A' ' 54' ' ' HIS . 9.0 m120 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.521 HG12 ' HA ' ' A' ' 77' ' ' ARG . 30.6 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.884 0.373 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 50.3 m-85 -120.73 150.51 40.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.9 m -117.74 130.93 56.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.419 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 3.7 t -57.77 177.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.8 t -119.04 0.64 11.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.442 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 60.9 t -121.29 -47.24 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.4 p -113.38 -3.15 13.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 59.42 38.69 22.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.596 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.4 tp10 -62.5 -173.55 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.2 p -131.35 128.21 39.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.596 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 12.8 m-85 -137.64 116.5 12.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.521 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -63.85 -13.04 41.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.434 ' HG3' ' CD ' ' A' ' 77' ' ' ARG . 51.1 mtp85 -123.66 160.73 26.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 8.6 tpt180 -81.16 -51.31 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.418 ' HE2' ' HB2' ' A' ' 83' ' ' ARG . 3.7 tpt -51.43 -47.18 63.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.405 ' HG2' ' HB2' ' A' ' 78' ' ' ARG . 58.5 mm-40 -44.75 -55.36 5.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.451 HD13 ' CE1' ' A' ' 76' ' ' PHE . 46.2 tp -50.39 -44.28 54.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.418 ' HB2' ' HE2' ' A' ' 80' ' ' MET . 8.9 mmm180 -58.68 -42.91 89.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.3 mt -74.63 -13.56 60.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -90.81 -41.96 10.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.483 ' HA ' ' HE3' ' A' ' 86' ' ' MET . 0.0 OUTLIER -50.83 -35.91 34.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 m -50.63 -36.48 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.0 m -60.44 -30.59 69.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.442 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 70.1 m-70 -78.57 -36.9 43.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.4 t -106.91 28.53 7.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.935 0.397 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -147.28 155.89 42.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.2 t -86.72 -176.12 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.4 m -124.49 -43.27 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -70.06 -48.5 57.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.5 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 22.3 p -104.2 -21.92 13.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t 74.92 30.69 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.5 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.8 mm100 -63.8 -174.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.482 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 35.6 mt-30 -138.57 143.69 39.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 6.5 m-85 -146.75 163.03 37.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.0 mmt -98.89 -25.97 14.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -116.87 153.31 32.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -68.57 -49.71 57.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -57.06 -38.81 73.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.84 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -56.98 -36.34 70.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.5 tp -76.73 -53.29 8.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -48.97 -50.75 34.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.8 t -61.65 -40.68 95.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.729 ' CE1' HD12 ' A' ' 117' ' ' LEU . 5.5 t60 -59.97 -35.1 74.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.403 ' O ' ' HB2' ' A' ' 118' ' ' HIS . 31.3 mtp -85.1 -15.68 43.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 115' ' ' ILE . 27.9 mt -93.31 -12.85 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.444 ' HD2' ' C ' ' A' ' 115' ' ' ILE . 0.3 OUTLIER -114.23 -57.61 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.729 HD12 ' CE1' ' A' ' 113' ' ' HIS . 6.0 mt -67.26 -46.1 74.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.403 ' HB2' ' O ' ' A' ' 114' ' ' MET . 78.3 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.618 HG21 ' HB2' ' A' ' 23' ' ' LEU . 29.7 m -81.18 172.66 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 0.0 111.155 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -145.53 136.8 24.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' HIS . 43.4 t -85.32 114.72 57.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.586 0.708 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 4.48 2.17 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -101.17 -51.75 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 26.6 p -118.75 6.49 11.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 10' ' ' CYS . 67.6 m-70 60.14 25.33 14.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.567 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 58.9 tttt -86.42 113.16 22.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -90.1 158.26 17.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.567 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 30.3 m-85 -137.79 -177.87 5.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.7 mt -67.99 -50.67 54.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.3 t -137.7 -176.51 4.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -69.4 -37.81 77.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -51.44 -56.31 13.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -53.77 -40.81 66.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.618 ' HB2' HG21 ' A' ' 8' ' ' VAL . 20.9 tp -57.76 -59.57 5.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -41.99 -61.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.3 t -49.25 -35.55 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 27' ' ' ASN . 4.0 t60 -72.48 -59.3 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 26' ' ' HIS . 2.1 t30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 66.1 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.864 0.364 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 44' ' ' CYS . 39.4 tt0 -172.45 130.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.458 ' CA ' HD11 ' A' ' 51' ' ' LEU . 5.7 t -52.24 112.73 3.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 53.5 Cg_endo -69.74 1.56 4.31 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.698 2.266 . . . . 0.0 112.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -100.07 -43.52 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.0 p -115.8 -37.49 3.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 108.53 27.43 4.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.5 109.28 17.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 75.9 m -64.13 135.06 56.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.419 ' CB ' ' HB2' ' A' ' 51' ' ' LEU . 2.9 m-85 -134.94 146.64 49.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -64.98 -56.98 9.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -110.85 146.77 35.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.47 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 62.2 tttt -64.43 -39.16 93.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -47.57 -66.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -52.29 -48.27 65.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.458 HD11 ' CA ' ' A' ' 38' ' ' CYS . 34.0 tp -52.03 -46.62 65.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.5 mt -57.06 -39.89 75.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -61.12 -41.09 96.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -63.96 -36.97 85.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -56.9 -51.5 68.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.62 -49.09 17.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -53.72 -68.39 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.9 0.381 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 20.8 m-85 -119.74 155.16 33.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.3 m -116.2 125.13 51.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.436 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.6 t -50.88 172.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.8 p -113.41 10.1 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.442 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 48.4 t -133.36 -45.56 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.2 p -116.15 -0.7 12.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.418 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 38.7 mm-40 58.96 33.92 23.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 1.3 tp10 -55.6 -173.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.0 p -128.76 124.97 36.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.172 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 74' ' ' GLU . 9.6 m-85 -133.12 119.16 19.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -53.45 -32.87 51.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.439 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 86.1 mtt180 -124.78 162.23 24.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 27.2 tpt180 -68.88 -61.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 79' ' ' ARG . 3.3 tpt -36.15 -47.01 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -50.68 -47.94 58.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.498 HD13 ' CE1' ' A' ' 76' ' ' PHE . 16.1 tp -56.49 -35.76 68.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -66.63 -43.89 83.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 mt -70.57 -13.28 62.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.406 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 22.8 t60 -93.37 -39.67 10.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.616 ' HA ' ' HE2' ' A' ' 86' ' ' MET . 0.0 OUTLIER -52.74 -32.25 42.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.7 m -51.36 -30.78 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.8 m -68.46 -27.8 66.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.442 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 65.8 m-70 -83.6 -52.37 6.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -72.33 -40.43 67.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.478 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 82.7 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.995 0.426 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -155.88 151.77 27.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -82.45 -174.71 5.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.8 t -123.44 -44.22 2.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 t -73.4 -51.58 16.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.513 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.5 p -96.93 -13.25 22.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.2 p 62.73 30.76 16.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.513 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.2 mm100 -64.73 -174.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.643 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 26.3 mt-30 -141.06 150.57 43.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.643 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.3 m-85 -150.35 162.13 41.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.2 mmt -95.76 -27.75 15.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -123.33 147.77 46.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.478 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 26.0 tttt -59.67 -57.34 13.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 109' ' ' ASP . 0.1 OUTLIER -47.67 -36.67 11.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.409 ' N ' ' HG2' ' A' ' 108' ' ' LYS . 5.9 t0 -61.8 -33.03 73.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.1 tp -80.11 -47.04 15.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -52.83 -50.71 63.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.3 -36.69 82.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.508 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.8 t60 -64.75 -35.12 80.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 34.2 mtp -82.25 -19.99 38.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.3 mt -87.06 -26.24 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -91.28 -58.48 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.509 HD23 ' N ' ' A' ' 117' ' ' LEU . 4.1 mt -77.13 -52.12 9.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.856 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -81.48 -178.18 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -153.3 150.84 29.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.421 ' C ' ' H ' ' A' ' 12' ' ' THR . 4.1 t -88.24 117.63 68.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.663 0.744 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 11.68 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.307 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.421 ' H ' ' C ' ' A' ' 10' ' ' CYS . 19.4 m -119.4 -58.13 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 p -101.12 -7.66 22.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 63.05 45.34 5.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.45 ' HE2' ' CE2' ' A' ' 17' ' ' PHE . 54.2 tttt -106.05 113.33 26.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -80.57 141.92 34.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.906 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.45 ' CE2' ' HE2' ' A' ' 15' ' ' LYS . 46.7 m-85 -125.94 178.84 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 18' ' ' LEU . 8.3 mp -76.61 -55.57 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.7 p -126.48 145.5 50.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' LEU . 11.1 ttpt -44.44 -47.06 9.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.565 ' O ' HG23 ' A' ' 25' ' ' VAL . 15.2 t80 -38.84 -54.69 1.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -58.68 -37.07 75.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 20' ' ' LYS . 22.6 tp -69.58 -63.46 1.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 19.5 ptpt -43.86 -38.38 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 21' ' ' TYR . 86.6 t -70.98 -40.46 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.149 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.469 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 2.2 t60 -71.94 -58.08 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.469 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 11.4 t30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.848 0.356 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.433 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 22.0 tt0 -153.51 157.29 39.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.2 t -74.95 113.3 23.41 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.66 0.743 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 0.92 4.92 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.361 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -100.43 -45.24 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.8 p -113.73 -43.47 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.77 36.27 2.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.514 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 6.5 tmtm? -94.6 120.92 35.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.323 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.1 p -64.16 157.17 26.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.514 ' CE2' ' HD2' ' A' ' 43' ' ' LYS . 5.0 m-85 -167.72 107.85 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.16 -49.23 43.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.474 ' CG ' ' HB2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -88.38 140.52 29.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -84.04 -29.76 26.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.418 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 35.5 mp0 -55.63 -55.77 28.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.474 ' HB2' ' CG ' ' A' ' 47' ' ' ARG . 2.3 m-80 -63.55 -51.46 65.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.41 ' HB2' ' CB ' ' A' ' 45' ' ' TYR . 18.9 tp -47.7 -43.03 26.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.4 mt -58.84 -42.8 90.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 54' ' ' HIS . 36.4 mt-10 -62.86 -62.54 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.441 ' CD2' ' C ' ' A' ' 54' ' ' HIS . 1.5 t60 -36.26 -51.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -37.68 -44.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -93.7 -43.74 8.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -63.24 1.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.686 HG12 ' HA ' ' A' ' 77' ' ' ARG . 35.4 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.838 0.351 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 10.0 m-85 -119.66 161.95 19.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.2 m -124.61 128.93 49.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.175 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.439 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 5.2 t -56.8 172.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.4 t -113.29 3.08 15.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.458 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 89.2 t -123.36 -48.83 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.0 p -113.36 -2.34 14.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.439 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 44.4 mm-40 60.15 34.71 21.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.589 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -57.41 -174.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.1 p -127.41 128.13 45.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.589 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 10.3 m-85 -135.22 114.98 12.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.686 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -48.88 -33.19 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.461 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 21.2 mtp85 -125.18 171.94 9.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.57 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 11.2 ttp180 -76.83 -64.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' ARG . 0.7 OUTLIER -33.35 -49.13 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -48.72 -53.14 20.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.518 HD13 ' CE1' ' A' ' 76' ' ' PHE . 14.3 tp -52.22 -38.89 59.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -62.31 -47.29 84.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.93 -14.43 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -91.1 -39.76 11.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.13 -32.44 35.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.462 HG12 ' CE ' ' A' ' 105' ' ' MET . 5.1 m -49.96 -33.94 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.9 m -67.08 -29.12 68.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.458 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 52.5 m-70 -82.02 -54.05 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.827 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.2 t -68.92 -39.91 79.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 85.6 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.902 0.382 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -155.37 151.08 27.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -86.39 -177.07 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 t -124.24 -43.17 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -71.14 -45.56 63.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.507 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.2 p -105.93 -15.56 14.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m 65.0 35.74 7.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.507 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.6 mm100 -69.09 -174.29 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -143.63 139.61 29.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -140.19 172.3 12.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.462 ' CE ' HG12 ' A' ' 87' ' ' VAL . 9.1 mmt -108.46 -23.97 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -119.49 150.58 40.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 25.7 tttp -66.75 -46.83 74.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -62.33 -26.5 68.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -35.07 76.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.1 tp -79.18 -48.24 14.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -52.02 -50.55 61.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 t -62.04 -40.77 96.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.542 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.4 t60 -58.15 -40.38 81.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.458 ' O ' ' C ' ' A' ' 118' ' ' HIS . 41.5 mtp -76.28 -32.83 59.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.1 mt -76.13 -23.52 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.48 -55.09 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.542 HD12 ' CE1' ' A' ' 113' ' ' HIS . 6.5 mt -81.08 -51.36 8.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 114' ' ' MET . 68.9 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.515 HG21 ' HB2' ' A' ' 23' ' ' LEU . 29.0 m -83.47 -177.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 111.125 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -147.73 137.29 22.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 14' ' ' HIS . 42.8 t -86.44 115.92 63.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.664 0.745 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 5.05 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -102.17 -52.12 3.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.9 p -120.52 10.06 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' CYS . 67.6 m-70 56.98 25.05 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.528 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 62.0 tttt -85.61 111.83 20.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -84.58 157.52 21.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.528 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 43.6 m-85 -137.76 -176.4 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 mp -69.94 -54.69 12.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 t -136.43 172.68 12.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.484 ' CD ' ' HG3' ' A' ' 24' ' ' LYS . 4.2 tmtp? -57.11 -50.41 72.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -38.82 -60.03 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -49.31 -43.62 43.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.515 ' HB2' HG21 ' A' ' 8' ' ' VAL . 44.0 tp -58.08 -61.25 2.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.484 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 36.3 mttm -43.04 -43.69 4.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.4 t -68.54 -33.99 62.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 4.3 t60 -76.55 -62.15 1.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.463 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.815 0.341 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 44' ' ' CYS . 36.4 tt0 -170.91 123.15 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.591 ' HA ' HD11 ' A' ' 51' ' ' LEU . 2.3 t -36.37 105.74 0.3 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.731 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 53.9 Cg_endo -69.74 2.1 3.83 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -99.37 -34.86 10.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.1 p -125.88 -43.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.56 21.56 3.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.579 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 3.1 tmtm? -80.96 106.23 12.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.747 0.308 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.48 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 11.5 p -63.24 165.53 7.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.579 ' CE2' ' HD2' ' A' ' 43' ' ' LYS . 6.0 m-85 -165.1 114.62 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -39.72 -48.36 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -112.44 157.64 20.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 49' ' ' GLU . 64.6 tttt -70.97 -54.23 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 48' ' ' LYS . 19.4 tt0 -34.54 -56.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -54.99 -51.47 66.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.591 HD11 ' HA ' ' A' ' 38' ' ' CYS . 6.6 tp -49.11 -52.22 27.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.9 mt -57.09 -41.4 78.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.58 -44.65 95.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 58' ' ' ASN . 3.6 t60 -57.87 -37.49 74.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -60.17 -63.55 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.41 -51.14 67.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -54.16 -70.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 54' ' ' HIS . 29.9 t-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 77' ' ' ARG . 27.5 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.847 0.356 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 19.0 m-85 -125.51 158.55 34.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 73' ' ' GLN . 88.0 m -118.33 127.07 53.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.446 ' HA ' ' CD1' ' A' ' 82' ' ' LEU . 5.3 t -53.34 172.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.8 m -113.13 10.59 18.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.407 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 46.9 t -134.13 -44.56 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.2 p -117.14 -0.49 12.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.418 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 37.0 mm-40 57.91 34.97 24.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 2.5 tp10 -56.15 -173.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.9 p -128.55 122.86 32.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.554 ' CE1' HD13 ' A' ' 82' ' ' LEU . 11.6 m-85 -129.99 118.87 22.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.592 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -55.81 -27.99 53.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -127.24 160.87 29.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 13.1 ttp180 -68.23 -61.89 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 79' ' ' ARG . 4.4 tpt -37.53 -47.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -46.8 -51.6 16.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.554 HD13 ' CE1' ' A' ' 76' ' ' PHE . 18.6 tp -54.83 -34.99 63.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -66.93 -41.72 86.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.816 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 mt -73.01 -19.0 61.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -87.21 -38.14 16.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.429 ' HA ' ' HE3' ' A' ' 86' ' ' MET . 0.2 OUTLIER -50.17 -22.93 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 m -57.49 -29.72 34.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.1 p -70.95 -13.51 62.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.407 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 86.5 m-70 -104.96 -23.56 12.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.0 p -95.12 -31.19 13.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.506 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.942 0.401 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.404 ' HG2' ' HG2' ' A' ' 103' ' ' GLN . 4.3 mtmm -152.41 143.2 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -79.55 -174.55 4.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.3 m -126.11 -43.6 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -71.13 -42.65 68.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.529 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 31.2 p -111.61 -2.08 15.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.5 p 54.55 27.95 9.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.529 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 3.7 mm100 -60.75 -173.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.613 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 19.7 mt-30 -145.16 148.22 33.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.613 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.4 m-85 -148.03 165.65 30.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.8 mmt -97.62 -28.39 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -122.41 159.3 27.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.417 ' HD3' ' CG ' ' A' ' 111' ' ' GLN . 0.1 OUTLIER -67.42 -57.95 5.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -48.43 -39.37 22.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -58.77 -29.98 67.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 16.7 tp -88.56 -44.07 10.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.417 ' CG ' ' HD3' ' A' ' 107' ' ' LYS . 25.8 mm-40 -54.5 -51.37 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -61.74 -38.8 89.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.56 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.8 t60 -60.72 -41.13 94.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 34.3 mtp -74.92 -23.41 58.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.6 mt -85.57 -23.1 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -96.21 -56.39 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 113' ' ' HIS . 4.3 mt -76.79 -51.82 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.867 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.8 m -73.08 174.35 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -144.17 142.52 30.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.2 t -91.25 115.69 64.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.67 0.748 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 6.36 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 m -102.24 -57.73 2.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 23.2 p -116.37 18.08 15.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 48.38 33.79 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.408 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 50.7 tttt -94.76 114.66 26.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -82.85 159.26 22.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -138.23 174.2 10.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.8 mt -73.86 -43.78 57.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.0 m -141.9 177.61 8.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HD3' ' N ' ' A' ' 20' ' ' LYS . 2.0 mppt? -66.53 -40.4 89.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -45.44 -64.55 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -51.27 -36.19 40.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.7 tp -67.57 -66.21 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.496 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 44.4 pttt -42.98 -36.87 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.496 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 72.1 t -74.73 -37.3 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -70.17 -51.2 33.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 t30 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.928 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.868 0.366 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 29.8 tt0 -164.57 153.57 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.575 ' HA ' HD11 ' A' ' 51' ' ' LEU . 8.4 t -71.08 113.11 16.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.631 0.729 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 53.9 Cg_endo -69.74 0.68 5.28 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.625 2.216 . . . . 0.0 112.361 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -99.81 -42.56 6.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 38' ' ' CYS . 27.0 p -116.58 -45.61 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.48 35.89 1.68 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.431 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 4.4 tmtt? -94.26 119.32 32.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.733 0.302 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.0 p -68.06 152.4 45.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -147.48 145.42 29.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -72.68 -41.21 65.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -112.37 148.99 33.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -70.65 -48.89 52.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -48.72 -53.53 18.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -51.26 -47.44 62.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.575 HD11 ' HA ' ' A' ' 38' ' ' CYS . 31.4 tp -56.01 -54.37 45.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.9 mt -49.08 -41.42 35.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.42 -62.09 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.416 ' CE1' ' O ' ' A' ' 58' ' ' ASN . 3.1 t60 -40.18 -46.32 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -44.69 -40.91 6.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.31 -44.17 8.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -53.26 -54.45 35.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.416 ' O ' ' CE1' ' A' ' 54' ' ' HIS . 8.8 t-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.844 0.354 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.552 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 8.4 m-85 -112.98 149.8 32.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.4 m -114.83 130.4 56.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.144 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.453 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 4.5 t -60.14 174.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.7 t -116.33 -0.3 12.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.474 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 56.1 t -119.85 -48.97 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 27.1 p -113.46 -2.36 13.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.453 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 30.7 mm-40 59.9 36.18 21.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.607 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 1.5 tp10 -61.28 179.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.9 p -123.14 129.4 51.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.669 ' CE1' HD13 ' A' ' 82' ' ' LEU . 8.7 m-85 -134.38 117.47 16.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.836 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -52.66 -32.5 42.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.407 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 88.7 mtt180 -124.63 170.27 11.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.552 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 13.1 tpp180 -77.43 -59.67 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' ARG . 5.8 tpt -36.14 -53.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -45.28 -48.31 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.669 HD13 ' CE1' ' A' ' 76' ' ' PHE . 32.7 tp -56.58 -43.35 79.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -58.01 -42.14 84.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.407 ' O ' HG22 ' A' ' 87' ' ' VAL . 5.8 mt -75.06 -12.75 60.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.413 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 36.8 t60 -90.41 -44.58 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -49.75 -34.07 18.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 84' ' ' LEU . 3.8 m -50.8 -32.34 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -67.28 -28.02 67.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.474 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 58.7 m-70 -82.54 -51.04 8.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 91' ' ' GLY . 6.1 t -71.78 -45.32 61.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.455 ' N ' HG23 ' A' ' 90' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 86.3 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.015 0.436 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -151.34 142.17 22.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -74.36 -175.36 2.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.7 m -122.86 -45.66 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.555 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.4 t -71.18 -48.26 52.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.505 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.0 p -102.45 -14.65 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 55.9 m 63.14 34.51 13.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.505 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.4 mm-40 -65.37 -175.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.506 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 31.0 mt-30 -140.7 146.69 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 11.0 m-85 -148.32 165.2 31.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.1 mmt -96.84 -29.16 13.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -117.85 160.31 21.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 37.3 tttm -73.18 -50.18 23.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -56.0 -33.51 64.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.473 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 4.5 t0 -61.26 -36.52 80.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 20.0 tp -77.13 -50.88 12.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -47.67 -51.04 23.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -62.72 -43.66 98.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.472 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.3 t60 -54.84 -39.44 68.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.48 ' O ' ' C ' ' A' ' 118' ' ' HIS . 40.9 mtp -78.02 -30.64 50.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.6 mt -75.0 -28.51 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.484 ' HE2' ' N ' ' A' ' 116' ' ' LYS . 0.3 OUTLIER -89.29 -57.01 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 117' ' ' LEU . 4.9 mt -78.32 -54.23 6.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.555 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 97.8 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.79 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.624 HG11 ' HG2' ' A' ' 20' ' ' LYS . 31.6 m -72.19 176.04 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.799 0.333 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -144.1 146.79 33.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.7 t -98.01 114.24 64.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 6.36 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -101.31 -55.3 2.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.9 p -119.23 15.51 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 52.56 30.37 8.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 45.7 tttt -92.03 117.03 29.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -87.75 157.19 19.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.44 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 68.5 m-85 -139.37 178.18 7.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -64.49 -55.84 18.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.8 m -141.45 165.71 26.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.624 ' HG2' HG11 ' A' ' 8' ' ' VAL . 22.3 mmtm -45.94 -56.77 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.462 ' C ' ' O ' ' A' ' 20' ' ' LYS . 4.3 t80 -32.38 -65.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -50.18 -48.69 53.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.438 ' HB2' HG21 ' A' ' 8' ' ' VAL . 19.2 tp -55.23 -58.26 8.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.417 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 50.9 mttm -43.15 -59.57 2.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.7 t -53.71 -35.16 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.154 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.533 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 4.1 t60 -71.1 -65.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.533 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.805 0.336 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.401 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 30.5 tt0 -135.07 125.4 26.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 3.9 t -41.38 112.62 0.99 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 53.4 Cg_endo -69.81 -1.62 8.82 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -95.41 -47.29 6.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.8 p -110.91 -43.49 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.49 35.85 1.84 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.401 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 30.0 tptt -97.1 121.72 39.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.7 p -74.85 145.5 42.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -145.89 116.92 7.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -50.58 -49.9 55.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.33 146.73 24.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.455 ' HE3' HD23 ' A' ' 51' ' ' LEU . 33.9 tptt -71.13 -47.57 57.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -43.87 -60.14 1.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -47.89 -55.11 10.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.455 HD23 ' HE3' ' A' ' 48' ' ' LYS . 12.1 tp -47.07 -51.88 16.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.52 -51.97 67.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 57' ' ' ARG . 44.0 mt-10 -53.15 -38.46 62.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -65.72 -42.43 91.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -54.29 -55.59 26.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.34 -50.11 29.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 53' ' ' GLU . 4.1 tmt_? -54.04 -64.59 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.2 t30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.603 HG12 ' HA ' ' A' ' 77' ' ' ARG . 30.5 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.841 0.353 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 5.3 m-85 -116.38 175.38 5.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 93.4 m -141.47 124.04 15.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.45 ' SG ' ' CE ' ' A' ' 86' ' ' MET . 25.2 t -58.6 158.17 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.5 t -102.89 15.34 29.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.449 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 53.1 t -128.7 -45.88 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.1 p -117.66 -12.7 10.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 71.74 31.37 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.596 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -56.95 -174.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.6 p -128.38 128.27 44.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.737 ' CE1' HD13 ' A' ' 82' ' ' LEU . 8.7 m-85 -134.86 118.81 17.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.621 ' H ' ' NE ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -54.8 -31.46 59.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -125.88 169.93 12.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 4.8 ttp-105 -75.89 -60.47 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 79' ' ' ARG . 5.5 tpt -36.77 -52.73 0.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -45.56 -50.22 13.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.737 HD13 ' CE1' ' A' ' 76' ' ' PHE . 32.4 tp -55.79 -39.12 70.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -61.32 -43.7 98.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.412 ' O ' HG22 ' A' ' 87' ' ' VAL . 7.4 mt -71.5 -14.05 62.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.403 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 21.1 t60 -89.53 -44.72 9.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.45 ' CE ' ' SG ' ' A' ' 69' ' ' CYS . 0.2 OUTLIER -47.71 -33.95 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.439 HG12 ' CE ' ' A' ' 105' ' ' MET . 4.6 m -49.59 -32.28 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.8 t -67.13 -28.85 68.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.449 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 55.9 m-70 -84.08 -52.74 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.6 t -69.69 -40.59 76.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.612 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 72.2 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.909 0.385 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.405 ' NZ ' ' HB2' ' A' ' 96' ' ' LYS . 2.0 mtmp? -154.73 143.87 21.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.88 -177.85 6.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.8 p -121.38 -46.81 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -65.86 -51.78 55.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 30.0 p -98.5 -22.01 16.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.1 m 72.97 25.2 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -61.57 -174.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.601 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 32.4 mt-30 -140.43 154.84 46.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.601 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 5.1 m-85 -153.87 159.54 41.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.439 ' CE ' HG12 ' A' ' 87' ' ' VAL . 5.6 mmt -95.71 -27.01 15.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.455 ' C ' ' CE2' ' A' ' 95' ' ' TYR . 12.8 mt-30 -114.33 165.37 12.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.612 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 1.5 ttmp? -80.21 -45.1 18.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -61.62 -31.75 71.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -61.85 -37.64 85.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.6 tp -77.45 -51.4 10.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.42 ' O ' HD12 ' A' ' 115' ' ' ILE . 26.6 mt-30 -49.38 -51.51 34.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 t -64.09 -36.75 85.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.595 ' CE1' HD12 ' A' ' 117' ' ' LEU . 2.6 t60 -62.44 -40.77 97.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 48.0 mtp -75.33 -26.5 58.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 111' ' ' GLN . 16.2 mt -81.14 -26.58 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -92.73 -58.53 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.595 HD12 ' CE1' ' A' ' 113' ' ' HIS . 6.4 mt -72.64 -50.11 27.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.922 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.977 HG11 ' HD3' ' A' ' 20' ' ' LYS . 27.3 m -79.93 174.94 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 111.125 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -141.52 139.72 33.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 14' ' ' HIS . 43.5 t -86.92 115.56 62.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.658 0.742 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 4.98 1.86 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -101.25 -53.33 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.2 p -118.58 9.21 12.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 10' ' ' CYS . 72.9 m-70 59.69 25.07 13.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.405 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 31.5 tttt -85.89 120.48 27.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -95.15 157.06 16.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.915 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.405 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 17.1 m-85 -136.84 174.15 10.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.764 HD23 ' H ' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -74.51 -36.16 63.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 m -142.53 158.37 43.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.977 ' HD3' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -56.33 -49.59 73.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' LYS . 75.8 t80 -35.57 -54.74 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.646 ' HE2' HD11 ' A' ' 18' ' ' LEU . 9.8 m-85 -59.5 -43.46 93.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' HB2' HG21 ' A' ' 8' ' ' VAL . 33.1 tp -56.51 -43.31 79.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -60.46 -64.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 64.7 t -48.09 -35.66 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.52 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 3.1 t60 -70.85 -62.98 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.52 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 40.2 tt0 -167.77 134.67 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 4.3 t -49.49 110.33 1.54 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.693 0.759 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 53.8 Cg_endo -69.69 0.83 5.02 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.754 2.302 . . . . 0.0 112.317 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -98.57 -40.28 8.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.7 p -119.74 -44.12 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.14 31.74 1.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.422 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 13.2 tptp -92.04 111.16 22.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.558 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 1.8 m -62.11 163.21 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 44' ' ' CYS . 9.9 m-85 -163.67 128.39 2.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -58.69 -54.97 41.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.05 129.06 51.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -54.66 -46.54 74.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -43.71 -46.07 7.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -65.01 -48.87 72.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.9 tp -51.72 -54.08 32.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.9 mt -46.4 -45.5 17.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -56.12 -58.64 7.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 55' ' ' GLU . 3.4 t60 -44.03 -53.45 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' HIS . 43.7 mt-10 -37.54 -44.82 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.01 -44.97 12.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -55.3 -62.43 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.9 m120 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' ' 77' ' ' ARG . 27.6 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.882 0.372 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.447 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 9.8 m-85 -114.28 153.19 30.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 95.1 m -117.18 129.3 55.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.445 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.8 t -55.96 172.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.3 t -115.88 12.82 15.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.521 HG11 ' ND1' ' A' ' 89' ' ' HIS . 49.5 t -133.82 -44.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.0 p -117.15 -4.37 11.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 61.31 40.18 14.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -64.58 -174.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.6 p -127.72 126.98 42.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 14.9 m-85 -134.07 114.69 13.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.598 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -52.95 -22.03 5.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.2 mtt-85 -134.47 166.38 23.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 80' ' ' MET . 7.3 tpt180 -73.35 -64.18 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.46 ' C ' ' O ' ' A' ' 79' ' ' ARG . 2.7 tpt -33.22 -53.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -46.01 -48.04 16.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.548 HD13 ' CE1' ' A' ' 76' ' ' PHE . 19.6 tp -56.84 -39.39 74.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.403 ' CB ' ' HG3' ' A' ' 105' ' ' MET . 10.8 mmm180 -62.82 -45.83 90.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.9 mt -67.43 -20.92 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -85.41 -40.31 16.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -48.72 -21.77 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.1 m -55.07 -30.82 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.2 p -72.83 -13.63 61.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.521 ' ND1' HG11 ' A' ' 71' ' ' VAL . 82.3 m-70 -107.23 -32.77 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.6 p -82.62 -35.09 27.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.188 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.455 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 89.6 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.989 0.423 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -152.63 143.16 22.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.927 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.5 t -78.93 -175.5 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.6 t -126.27 -42.73 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 m -71.76 -40.05 69.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.518 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 30.2 p -113.01 -11.51 13.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 p 64.71 25.3 13.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.518 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.2 mm100 -59.56 -174.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.611 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 21.6 mt-30 -142.87 152.78 42.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 8.3 m-85 -152.43 164.75 36.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.403 ' HG3' ' CB ' ' A' ' 83' ' ' ARG . 6.1 mmt -99.67 -26.22 14.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -120.79 154.38 35.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 29.7 tttm -68.49 -51.1 46.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -57.34 -26.62 61.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.0 -30.19 66.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 18.1 tp -83.34 -45.28 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -53.92 -52.31 60.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -59.44 -41.42 89.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.506 ' CE1' HD12 ' A' ' 117' ' ' LEU . 5.1 t60 -58.03 -39.01 77.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 35.5 mtp -78.09 -22.45 48.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 17.9 mt -84.29 -26.1 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.1 -56.32 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.509 HD23 ' N ' ' A' ' 117' ' ' LEU . 4.5 mt -78.9 -52.92 7.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.868 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 20' ' ' LYS . 35.4 m -73.0 168.13 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 0.0 111.157 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -138.1 145.05 41.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.401 ' C ' ' H ' ' A' ' 12' ' ' THR . 34.9 t -95.67 113.49 62.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.632 0.73 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 10.59 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.384 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.401 ' H ' ' C ' ' A' ' 10' ' ' CYS . 3.1 m -104.89 -58.73 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 27.8 p -115.57 10.5 15.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 58.55 30.23 19.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.406 ' HB2' ' NZ ' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -92.89 113.17 25.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -84.24 160.17 20.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -139.7 158.41 44.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.698 HD23 ' H ' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -67.93 -39.65 83.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.0 t -136.85 158.76 43.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' LEU . 1.8 mppt? -58.57 -49.38 77.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' LYS . 19.5 t80 -35.94 -56.07 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.698 ' HE2' HD11 ' A' ' 18' ' ' LEU . 11.7 m-85 -59.22 -36.28 75.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 20' ' ' LYS . 53.4 tp -66.16 -60.91 2.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.938 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -48.15 -36.01 12.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.811 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.471 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 53.9 t -75.07 -38.59 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -68.93 -54.21 16.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.832 0.349 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -155.74 131.19 9.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 t -54.98 112.69 4.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.59 4.33 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -98.88 -44.38 6.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.5 p -114.41 -42.83 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.66 38.02 2.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.4 ' HD2' ' CZ ' ' A' ' 45' ' ' TYR . 3.7 tmtt? -100.21 114.04 27.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.9 p -60.41 155.17 18.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.4 ' CZ ' ' HD2' ' A' ' 43' ' ' LYS . 15.7 m-85 -154.45 115.17 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -41.15 -57.28 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 2.6 mmp_? -107.69 149.11 28.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 49' ' ' GLU . 12.0 ttpp -69.31 -44.67 71.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 48' ' ' LYS . 13.7 mt-10 -33.97 -55.5 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -61.49 -44.79 96.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 48' ' ' LYS . 17.9 tp -53.64 -44.71 69.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.1 mt -57.77 -45.38 86.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 54' ' ' HIS . 59.5 mt-10 -64.73 -65.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 53' ' ' GLU . 1.7 t60 -36.13 -38.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.07 -49.75 76.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 53' ' ' GLU . . . -80.99 -50.58 9.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.092 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.454 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 25.7 mmt180 -53.63 -64.17 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 70.8 m-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.637 HG12 ' HA ' ' A' ' 77' ' ' ARG . 28.5 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.88 0.371 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 9.3 m-85 -118.49 156.09 29.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 89.9 m -119.32 129.35 54.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.433 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.5 t -57.02 173.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.9 t -115.61 4.65 14.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.46 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 88.0 t -125.16 -48.69 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.444 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.0 p -113.1 -3.27 13.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 60.89 37.06 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 2.5 tp10 -61.14 -176.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.5 p -126.82 125.55 41.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.785 ' CE1' HD13 ' A' ' 82' ' ' LEU . 8.4 m-85 -131.41 115.56 16.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.637 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -48.75 -34.82 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.443 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 21.2 mtp180 -124.12 171.4 9.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.562 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 17.0 tpt180 -76.59 -60.81 2.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 79' ' ' ARG . 4.0 tpt -36.39 -48.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -48.53 -51.36 27.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.785 HD13 ' CE1' ' A' ' 76' ' ' PHE . 37.2 tp -53.87 -40.34 66.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -60.59 -43.85 96.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.3 mt -71.91 -12.5 61.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.404 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 25.9 t60 -92.57 -43.65 9.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -48.09 -33.36 8.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.7 m -49.97 -33.64 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.1 p -65.88 -27.73 68.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.46 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 65.5 m-70 -84.58 -55.15 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 91' ' ' GLY . 6.6 t -65.46 -42.65 92.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.416 ' N ' HG23 ' A' ' 90' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.534 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.985 0.421 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -156.33 142.92 18.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.0 -174.95 4.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 m -124.28 -45.02 1.98 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.556 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.0 OUTLIER -70.61 -50.76 33.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.517 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.2 p -101.86 -13.14 17.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.4 m 64.46 31.88 12.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.517 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 3.5 mm-40 -61.27 -173.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.499 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 32.7 mt-30 -143.09 142.02 31.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.69 ' CE1' HD13 ' A' ' 110' ' ' LEU . 1.4 m-85 -144.19 167.13 23.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.5 mmt -107.13 -23.89 12.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -125.75 154.0 43.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -56.55 -67.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -42.58 -41.59 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -54.41 -38.33 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.69 HD13 ' CE1' ' A' ' 104' ' ' PHE . 21.4 tp -86.8 -55.49 3.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -47.68 -48.45 29.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.402 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 1.4 t -63.87 -39.91 95.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.544 ' CE1' HD12 ' A' ' 117' ' ' LEU . 3.6 t60 -59.88 -40.19 87.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.821 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 118' ' ' HIS . 47.7 mtp -76.09 -27.7 57.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.2 mt -80.1 -27.05 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.402 ' CD ' ' O ' ' A' ' 112' ' ' SER . 1.2 mptm? -88.61 -57.1 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.544 HD12 ' CE1' ' A' ' 113' ' ' HIS . 6.4 mt -80.18 -55.34 5.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.556 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 87.1 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.51 HG11 ' HD3' ' A' ' 20' ' ' LYS . 35.1 m -83.18 174.14 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.439 ' CD ' ' HE2' ' A' ' 16' ' ' LYS . 16.7 tt0 -146.86 141.24 26.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.405 ' C ' ' H ' ' A' ' 12' ' ' THR . 32.2 t -89.8 113.18 55.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 9.86 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.405 ' H ' ' C ' ' A' ' 10' ' ' CYS . 3.1 m -105.21 -60.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 27.0 p -112.23 12.2 20.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 57.01 29.18 15.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.488 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 14.6 ttmt -90.41 114.27 26.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HE2' ' CD ' ' A' ' 9' ' ' GLU . 26.7 mttt -91.59 157.93 16.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.488 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 29.7 m-85 -135.98 -179.89 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.728 HD23 ' H ' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -84.28 -38.18 20.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -136.95 175.06 9.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.51 ' HD3' HG11 ' A' ' 8' ' ' VAL . 9.4 mmtp -69.58 -50.98 39.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.443 ' O ' HG23 ' A' ' 25' ' ' VAL . 20.3 t80 -36.03 -56.69 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.648 ' HE2' HD11 ' A' ' 18' ' ' LEU . 13.0 m-85 -56.48 -38.37 71.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 20' ' ' LYS . 60.2 tp -67.59 -61.91 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -45.46 -41.89 9.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 21' ' ' TYR . 92.4 t -69.53 -40.02 79.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.524 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 3.6 t60 -72.33 -64.08 1.02 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.524 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.8 0.333 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 8.7 tt0 -148.55 138.94 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 t -54.91 108.06 1.05 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.62 0.724 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 2.73 3.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -99.8 -34.57 10.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.6 p -128.99 -46.4 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.29 49.3 0.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.44 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 37' ' ' GLU . 16.5 tppt? -104.21 121.83 44.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.536 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 26.7 p -72.3 155.61 40.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.536 ' CG ' ' O ' ' A' ' 44' ' ' CYS . 5.8 m-85 -174.97 110.49 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.953 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.42 -41.63 89.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -86.09 123.3 31.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -52.65 63.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -49.61 -56.38 10.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -46.14 -47.44 17.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.8 tp -61.4 -46.7 89.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.3 mt -55.97 -44.83 78.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.99 -53.09 62.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.487 ' CE1' ' O ' ' A' ' 58' ' ' ASN . 1.2 t60 -46.76 -54.15 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.462 ' N ' ' CD2' ' A' ' 54' ' ' HIS . 6.9 mt-10 -34.57 -41.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.09 -44.31 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -54.48 -63.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.487 ' O ' ' CE1' ' A' ' 54' ' ' HIS . 11.3 m120 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.413 ' HB ' ' O ' ' A' ' 76' ' ' PHE . 28.0 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.901 0.381 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.442 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 1.8 m-85 -107.33 169.47 8.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.1 m -133.77 129.53 36.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.4 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 5.1 t -62.43 170.05 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.4 t -112.73 5.24 17.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.484 HG11 ' ND1' ' A' ' 89' ' ' HIS . 92.6 t -124.29 -48.8 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.0 p -113.19 -3.22 13.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 60.07 37.15 21.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.597 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 3.0 tp10 -58.89 -179.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.4 p -127.39 122.82 34.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.702 ' CE1' HD13 ' A' ' 82' ' ' LEU . 10.5 m-85 -126.31 175.81 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.08 -27.78 6.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -119.56 158.61 25.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.766 HH21 HD23 ' A' ' 82' ' ' LEU . 1.9 tpm_? -70.98 -47.88 56.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.2 tpt -55.7 -46.49 77.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -45.98 -54.74 7.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.766 HD23 HH21 ' A' ' 79' ' ' ARG . 14.2 tp -51.4 -42.28 61.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.435 ' HD3' ' NH1' ' A' ' 79' ' ' ARG . 12.3 mmm180 -60.19 -41.37 92.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.4 mt -72.21 -14.37 61.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -91.93 -42.78 9.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -49.8 -32.86 14.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.418 HG13 ' H ' ' A' ' 87' ' ' VAL . 3.2 m -51.05 -31.81 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.0 p -66.78 -28.05 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.484 ' ND1' HG11 ' A' ' 71' ' ' VAL . 73.6 m-70 -84.85 -54.39 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.2 t -65.64 -41.2 92.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.948 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.456 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 85.2 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.912 0.387 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.9 mtmm -154.18 145.84 23.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -81.62 -176.5 6.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.0 p -123.45 -44.18 2.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.6 m -70.97 -47.4 59.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.517 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 20.8 p -103.5 -19.27 14.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.2 m 69.47 31.76 3.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.517 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 5.0 mm100 -65.71 -175.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.419 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 31.6 mt-30 -141.59 146.69 36.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 18.0 m-85 -147.33 163.48 36.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.5 mmt -96.97 -28.08 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -118.09 152.37 35.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.456 ' HG3' ' CE1' ' A' ' 95' ' ' TYR . 6.2 ttpp -64.11 -54.64 30.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 6.2 pttm -51.43 -39.02 56.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.481 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 7.9 t0 -55.32 -36.94 66.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 26.6 tp -78.09 -51.61 10.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -49.01 -50.8 34.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 t -62.76 -40.7 98.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.513 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.2 t60 -59.51 -40.74 88.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 44.5 mtp -76.73 -25.9 54.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 21.0 mt -82.45 -23.17 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -93.34 -57.21 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.513 HD12 ' CE1' ' A' ' 113' ' ' HIS . 6.3 mt -77.8 -53.74 7.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.845 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.684 ' HB ' HD22 ' A' ' 23' ' ' LEU . 34.8 m -84.9 166.7 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 111.154 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -145.41 143.91 30.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.462 ' C ' ' H ' ' A' ' 12' ' ' THR . 24.3 t -88.2 115.67 63.89 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 53.4 Cg_endo -69.78 19.56 0.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.462 ' H ' ' C ' ' A' ' 10' ' ' CYS . 6.6 m -118.25 -59.73 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.0 p -111.09 13.67 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 49.76 43.38 24.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.506 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 28.6 tttm -100.49 108.56 20.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -82.22 152.52 26.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.506 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 57.0 m-85 -133.04 -176.68 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.665 HD23 ' H ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -92.37 -39.62 11.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 t -130.9 144.47 51.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -52.08 -42.36 63.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.617 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.7 t80 -45.76 -34.97 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.478 ' HE2' HD11 ' A' ' 18' ' ' LEU . 7.5 m-85 -74.58 -34.83 62.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.684 HD22 ' HB ' ' A' ' 8' ' ' VAL . 43.2 tp -65.58 -54.8 22.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -55.26 -44.93 76.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 21' ' ' TYR . 89.0 t -66.86 -37.9 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.131 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -69.35 -42.37 75.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 t30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.911 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.814 0.34 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.426 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 31.9 tt0 -164.74 128.55 2.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.461 ' HA ' HD11 ' A' ' 51' ' ' LEU . 2.0 t -40.09 108.33 0.51 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.663 0.744 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 2.82 3.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.373 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.67 -41.76 6.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.0 p -116.71 -42.38 2.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.09 35.15 1.69 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.426 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 21.2 tptp -95.37 113.86 25.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.737 0.303 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 71.6 m -77.12 150.52 35.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -160.06 108.18 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -42.46 -50.93 5.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -83.81 122.72 29.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -55.18 -44.08 74.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -49.82 -59.65 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -45.96 -46.24 16.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.461 HD11 ' HA ' ' A' ' 38' ' ' CYS . 21.1 tp -60.41 -54.17 48.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.3 mt -52.8 -52.7 55.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -48.4 -58.92 3.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.467 ' CD2' ' N ' ' A' ' 55' ' ' GLU . 2.3 t60 -47.1 -58.2 4.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.81 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.467 ' N ' ' CD2' ' A' ' 54' ' ' HIS . 13.2 mt-10 -33.73 -44.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.09 -45.76 11.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -54.4 -61.51 2.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 77' ' ' ARG . 31.9 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.889 0.376 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.539 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 9.2 m-85 -117.95 147.92 42.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 94.5 m -112.72 130.44 56.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.467 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 5.9 t -58.01 171.72 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.7 t -111.59 -0.95 15.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.475 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 90.8 t -118.35 -50.17 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.8 p -111.91 -4.3 14.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.467 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 57.6 mm-40 61.75 33.69 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.595 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.8 tp10 -56.85 -176.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.1 p -126.36 126.63 44.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.692 ' CE1' HD13 ' A' ' 82' ' ' LEU . 9.5 m-85 -133.4 114.16 13.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.564 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -49.06 -33.55 11.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.437 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 35.8 mtt180 -124.36 169.25 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.539 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 2.6 tpp85 -75.41 -61.22 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' ARG . 3.8 tpt -35.58 -48.68 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -48.34 -52.08 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.692 HD13 ' CE1' ' A' ' 76' ' ' PHE . 42.5 tp -53.94 -39.81 66.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.3 mmm-85 -60.97 -42.89 99.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mt -73.48 -12.62 60.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.407 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 22.1 t60 -92.8 -43.19 9.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -48.7 -33.57 10.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.6 m -49.09 -34.27 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.9 p -65.44 -28.87 69.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.475 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 60.5 m-70 -83.83 -54.65 4.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.9 t -66.69 -41.31 88.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.488 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.457 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 90.1 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.985 0.421 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -154.32 144.4 21.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -76.01 -176.33 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.4 m -122.48 -46.54 2.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -68.01 -47.74 67.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.844 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.487 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.0 p -103.42 -22.52 13.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 t 73.81 31.57 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.487 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.7 mm100 -60.56 -174.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.52 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 33.8 mt-30 -140.93 142.72 34.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.4 m-85 -148.9 157.78 43.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.8 mmt -94.01 -27.84 16.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -116.1 149.59 38.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.457 ' HG3' ' CE1' ' A' ' 95' ' ' TYR . 1.7 ttpm? -63.78 -54.93 27.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -51.44 -36.83 45.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.434 ' N ' ' HG2' ' A' ' 108' ' ' LYS . 1.9 t70 -58.2 -37.25 74.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.4 tp -77.03 -51.21 11.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -48.23 -50.15 30.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.69 -41.06 98.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.528 ' CE1' HD12 ' A' ' 117' ' ' LEU . 5.2 t60 -59.26 -38.86 81.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.47 ' O ' ' C ' ' A' ' 118' ' ' HIS . 34.1 mtp -78.93 -29.26 44.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 21.2 mt -77.43 -29.83 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.02 -58.44 2.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.528 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.6 mt -77.28 -55.88 5.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.47 ' C ' ' O ' ' A' ' 114' ' ' MET . 92.0 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.438 HG11 ' HG2' ' A' ' 20' ' ' LYS . 15.6 m -88.84 172.35 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.117 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.408 ' CB ' ' HG2' ' A' ' 16' ' ' LYS . 13.6 tt0 -143.97 144.03 31.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.2 t -92.94 112.07 54.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.671 0.748 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 6.79 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.649 2.233 . . . . 0.0 112.401 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -100.16 -58.78 1.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.2 p -115.82 11.96 15.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 59.24 27.19 16.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.516 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 71.5 tttt -88.37 111.06 21.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HG2' ' CB ' ' A' ' 9' ' ' GLU . 32.0 mtmt -90.61 157.67 17.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.516 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 32.8 m-85 -135.65 -176.53 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.693 HD23 ' H ' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -85.2 -39.95 17.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.9 t -135.16 171.44 14.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' LEU . 19.5 mmtt -67.48 -53.19 30.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.604 ' O ' HG23 ' A' ' 25' ' ' VAL . 75.3 t80 -37.69 -52.53 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.66 ' HE2' HD11 ' A' ' 18' ' ' LEU . 7.3 m-85 -57.72 -37.84 74.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 26' ' ' HIS . 12.6 tp -67.19 -64.46 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 8.8 pttp -43.37 -39.37 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 21' ' ' TYR . 98.3 t -68.96 -30.92 48.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' LEU . 4.8 t60 -82.25 -36.96 26.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.5 t30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.821 0.343 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.424 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 35.3 tt0 -167.0 140.84 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.2 t -58.56 109.6 1.97 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.638 0.732 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 2.51 3.47 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.631 2.22 . . . . 0.0 112.338 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -100.98 -38.14 8.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.2 p -122.49 -44.59 2.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.63 31.89 1.71 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.424 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 1.2 tptm -86.19 105.93 16.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.745 0.307 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.9 p -71.88 147.95 46.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -157.88 127.11 5.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -52.06 -56.6 13.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.57 131.12 35.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -66.37 -36.8 83.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -62.26 -54.51 39.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -44.16 -52.29 7.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.2 tp -55.88 -54.04 49.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.4 mt -43.72 -43.1 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.6 -62.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -39.99 -49.3 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -43.33 -43.09 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.71 -46.02 10.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -53.97 -60.66 3.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.2 t30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 77' ' ' ARG . 28.9 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.84 0.352 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.535 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 11.5 m-85 -114.82 153.2 30.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 89.0 m -117.1 129.67 56.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.435 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.7 t -56.25 173.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.8 t -114.74 4.75 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.452 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 97.6 t -126.5 -47.95 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.4 p -113.91 -0.95 13.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.425 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 50.5 mm-40 57.58 37.18 27.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.599 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.4 tp10 -60.34 -175.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.9 p -126.09 127.0 45.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.599 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 16.1 m-85 -133.9 119.3 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.431 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -52.6 -32.6 42.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.833 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -126.47 170.29 12.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.535 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 6.8 tpt180 -76.37 -60.26 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 79' ' ' ARG . 2.5 tpt -36.4 -49.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -49.77 -47.97 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.48 HD13 ' CE1' ' A' ' 76' ' ' PHE . 19.1 tp -57.31 -38.25 73.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 83' ' ' ARG . 10.8 mmm180 -62.25 -44.19 97.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.0 mt -71.48 -14.8 62.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -88.67 -41.96 12.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.41 -27.16 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.458 HG12 ' CE ' ' A' ' 105' ' ' MET . 4.8 m -53.41 -34.05 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.3 t -65.55 -29.96 70.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.452 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 71.1 m-70 -84.25 -55.2 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 91' ' ' GLY . 7.5 t -68.28 -42.01 80.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.413 ' N ' HG23 ' A' ' 90' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.453 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 86.1 m-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.999 0.428 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -152.89 145.36 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.05 -176.94 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.8 t -123.39 -45.66 2.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.6 m -67.92 -47.94 67.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.524 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 20.0 p -104.25 -16.89 15.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.8 m 67.91 31.95 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.524 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.3 mm-40 -64.44 -173.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.513 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 30.1 mt-30 -142.29 145.3 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 6.0 m-85 -148.18 161.39 41.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.458 ' CE ' HG12 ' A' ' 87' ' ' VAL . 4.7 mmt -96.54 -26.46 15.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -116.76 159.98 21.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 69.2 tttt -74.82 -49.92 18.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 11.3 ptpt -56.9 -36.94 70.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.456 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 3.0 t70 -58.8 -36.09 73.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 24.3 tp -76.71 -51.79 10.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -48.1 -50.6 27.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.454 ' HA ' HD12 ' A' ' 115' ' ' ILE . 3.3 t -61.76 -43.67 98.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.509 ' CE1' HD12 ' A' ' 117' ' ' LEU . 3.6 t60 -58.32 -37.91 76.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.46 ' O ' ' C ' ' A' ' 118' ' ' HIS . 42.7 mtp -78.95 -24.92 43.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 112' ' ' SER . 19.3 mt -79.43 -30.99 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 112' ' ' SER . 2.2 mptt -86.82 -59.38 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.509 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.0 mt -74.56 -54.89 6.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.46 ' C ' ' O ' ' A' ' 114' ' ' MET . 74.6 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.599 HG21 ' HB2' ' A' ' 23' ' ' LEU . 34.1 m -97.15 175.12 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -145.73 137.76 25.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.9 t -88.8 114.71 61.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.632 0.729 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 5.15 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.331 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 m -100.67 -58.5 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.151 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.2 p -115.21 14.85 17.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 53.04 27.86 6.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -89.85 109.46 20.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -85.15 159.15 20.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 26' ' ' HIS . 60.0 m-85 -137.42 176.47 8.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mp -69.88 -42.17 73.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.1 t -146.01 172.99 12.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.569 ' CD ' HG11 ' A' ' 8' ' ' VAL . 19.6 mmmt -60.1 -45.32 93.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.4 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 75.3 t80 -39.96 -52.22 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -63.84 -30.23 71.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.951 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.599 ' HB2' HG21 ' A' ' 8' ' ' VAL . 45.8 tp -71.15 -59.99 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 17.4 ptpt -48.49 -40.16 25.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.441 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 91.1 t -72.19 -38.16 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' ASN . 5.0 t60 -72.41 -62.84 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 25.0 tt0 -151.52 127.85 10.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.5 t -45.15 110.42 1.09 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.65 0.738 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 1.73 4.16 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.744 2.296 . . . . 0.0 112.365 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -100.69 -47.02 4.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.9 p -110.18 -43.07 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.25 44.31 1.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.517 ' HE2' ' N ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -103.82 101.97 11.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.3 . . . . 0.0 110.859 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.517 ' N ' ' HE2' ' A' ' 43' ' ' LYS . 26.3 p -49.54 171.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.486 ' CD2' ' O ' ' A' ' 44' ' ' CYS . 9.9 m-85 -173.49 126.8 0.41 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -55.0 -47.0 75.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -109.15 152.78 24.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -75.55 -44.13 45.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -48.58 -56.17 9.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -49.91 -47.97 51.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.4 tp -52.19 -46.21 65.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.472 HD23 ' OE2' ' A' ' 55' ' ' GLU . 88.4 mt -53.81 -50.22 66.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -50.43 -44.88 55.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.489 ' CD2' ' C ' ' A' ' 54' ' ' HIS . 0.8 OUTLIER -62.92 -49.53 74.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.472 ' OE2' HD23 ' A' ' 52' ' ' LEU . 43.5 mt-10 -39.54 -43.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.05 -43.86 11.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -65.24 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.7 t30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.941 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 77' ' ' ARG . 33.9 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.844 0.354 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 21.0 m-85 -118.17 148.85 41.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.9 m -112.18 128.53 56.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.438 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 4.7 t -55.57 173.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.1 t -115.03 4.86 14.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.806 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.461 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 87.1 t -126.18 -48.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.488 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.4 p -113.07 -2.24 14.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.438 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 24.3 mm-40 60.5 34.93 20.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.608 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 1.1 tp10 -58.41 -178.58 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.7 p -124.71 126.79 46.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.696 ' CE1' HD13 ' A' ' 82' ' ' LEU . 10.7 m-85 -132.93 118.28 18.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.465 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -53.5 -32.3 49.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 -123.21 168.97 11.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 9.1 tpt180 -76.41 -63.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 79' ' ' ARG . 3.4 tpt -36.59 -47.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -47.96 -52.4 19.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.696 HD13 ' CE1' ' A' ' 76' ' ' PHE . 20.2 tp -54.76 -36.85 65.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -62.43 -44.56 96.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 87' ' ' VAL . 7.2 mt -70.82 -15.99 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.407 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 22.9 t60 -88.2 -40.09 13.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.25 -32.65 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 84' ' ' LEU . 3.9 m -52.4 -32.08 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.141 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.4 p -65.82 -28.84 69.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.461 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 62.8 m-70 -82.71 -55.91 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.2 t -68.9 -38.51 79.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.948 0.404 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.407 ' HG2' ' HG2' ' A' ' 103' ' ' GLN . 9.4 mtmt -152.02 151.54 31.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.1 -175.25 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.8 p -122.9 -45.8 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -69.65 -47.8 62.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.516 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 18.6 p -103.93 -15.39 15.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.5 m 64.66 33.75 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.516 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.0 mm-40 -64.03 -173.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.484 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 35.4 mt-30 -140.51 142.56 35.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 5.6 m-85 -147.26 160.42 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.1 mmt -99.44 -24.56 14.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -116.65 155.6 28.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -71.69 -49.98 34.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 4.7 pttm -56.15 -36.23 68.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.934 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.463 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 7.0 t0 -60.19 -36.96 78.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 24.5 tp -75.94 -49.15 18.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -52.49 -50.81 62.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.412 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 2.4 t -62.64 -38.51 90.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.522 ' CE1' HD12 ' A' ' 117' ' ' LEU . 5.3 t60 -63.73 -39.44 94.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 118' ' ' HIS . 39.4 mtp -76.57 -32.64 58.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.2 mt -76.98 -29.79 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.412 ' CD ' ' O ' ' A' ' 112' ' ' SER . 3.2 mptt -86.79 -58.28 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.522 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.8 mt -75.43 -55.29 5.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 114' ' ' MET . 75.4 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.607 HG21 ' HB2' ' A' ' 23' ' ' LEU . 34.4 m -99.44 170.49 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 111.153 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -136.57 139.4 42.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -90.95 115.23 63.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.639 0.733 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 5.63 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -101.67 -56.62 2.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 p -117.05 15.38 15.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 51.67 29.04 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.814 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -91.79 113.9 26.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -81.84 161.9 23.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -143.62 169.34 17.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mp -61.09 -53.5 56.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 t -146.34 167.24 24.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' O ' ' C ' ' A' ' 21' ' ' TYR . 2.5 mptp? -43.75 -58.16 2.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.475 ' C ' ' O ' ' A' ' 20' ' ' LYS . 8.8 t80 -32.13 -60.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -55.89 -46.81 78.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.607 ' HB2' HG21 ' A' ' 8' ' ' VAL . 57.4 tp -52.75 -49.13 66.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -54.75 -66.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.7 t -42.84 -38.22 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.403 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 4.7 t60 -69.7 -60.66 2.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.413 ' ND2' ' C ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.848 0.356 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 22.0 tt0 -125.27 148.41 48.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.427 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 4.1 t -64.32 114.51 14.36 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.654 0.74 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -10.91 29.67 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.318 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.411 ' HD3' ' SG ' ' A' ' 38' ' ' CYS . 2.4 mptt -86.81 -46.68 9.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 38' ' ' CYS . 28.3 p -111.59 -47.26 3.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.24 38.48 1.36 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.44 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 13.4 tptm -98.08 118.82 35.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.8 p -78.53 158.45 28.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -160.92 109.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -40.61 -60.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -93.56 120.11 33.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' GLU . 38.2 tttt -46.45 -45.97 18.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' LYS . 23.7 tt0 -36.22 -49.63 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -59.58 -57.18 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.2 tp -45.58 -56.45 5.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.9 mt -43.96 -50.9 8.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -55.25 -66.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 58' ' ' ASN . 1.3 t60 -37.58 -48.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.404 ' CD ' ' HG ' ' A' ' 38' ' ' CYS . 20.8 mm-40 -45.92 -43.64 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.24 -48.78 8.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -53.88 -60.5 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 54' ' ' HIS . 19.3 t-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.843 0.354 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 11.1 m-85 -112.51 151.8 29.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 94.5 m -115.49 123.08 47.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.434 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 4.5 t -47.36 175.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.6 p -114.55 4.41 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.476 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 85.5 t -127.36 -47.85 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.129 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.7 p -113.89 0.09 14.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.434 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 22.6 mm-40 58.69 32.74 22.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.596 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -53.22 -174.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.869 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.6 p -127.7 126.17 41.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.154 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.596 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 13.5 m-85 -134.61 118.72 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.405 ' H ' ' CD ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -52.2 -32.84 38.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -125.67 167.46 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.55 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 15.9 ttp180 -72.52 -64.79 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 79' ' ' ARG . 4.6 tpt -33.07 -48.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -49.74 -49.03 49.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 79' ' ' ARG . 13.8 tp -55.29 -35.35 64.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -66.48 -45.1 80.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.04 -14.12 62.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -89.54 -42.07 11.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.05 -29.92 9.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.446 HG12 ' CE ' ' A' ' 105' ' ' MET . 5.5 m -49.41 -34.51 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.2 p -68.61 -27.69 66.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.476 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 48.6 m-70 -83.73 -51.89 6.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.5 t -74.16 -30.12 62.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 72.7 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.963 0.411 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.57 152.56 31.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -84.85 -179.03 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 63.5 m -121.47 -44.52 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -69.91 -48.64 57.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.808 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.496 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 22.8 p -102.14 -18.31 15.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.6 m 69.25 30.41 4.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.496 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.6 mm-40 -62.66 -174.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.478 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 33.0 mt-30 -140.87 143.97 35.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 8.0 m-85 -147.17 159.75 43.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.446 ' CE ' HG12 ' A' ' 87' ' ' VAL . 5.1 mmt -95.26 -25.57 16.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -118.25 157.03 27.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 48.8 tttt -71.59 -51.22 24.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 35.8 pttt -55.08 -37.5 66.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 3.0 t70 -58.13 -37.8 75.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.2 tp -75.55 -51.9 11.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -49.28 -50.2 40.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 t -62.84 -40.81 98.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.516 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.6 t60 -60.91 -38.1 84.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 45.6 mtp -78.93 -29.57 44.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.1 mt -78.26 -25.11 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -91.74 -57.38 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.516 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.7 mt -77.09 -54.31 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.897 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.548 HG21 ' HB2' ' A' ' 23' ' ' LEU . 25.4 m -78.4 174.47 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.788 0.328 . . . . 0.0 111.114 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -140.65 145.63 36.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 39.0 t -96.18 115.31 65.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 8.34 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.6 m -105.01 -61.0 1.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 13.3 p -110.52 13.0 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 54.98 28.09 10.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.409 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 30.5 tttp -88.58 122.37 31.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -95.87 154.57 17.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -139.17 172.37 12.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.7 mt -59.99 -58.59 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 m -131.38 165.26 23.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' CG ' ' HE2' ' A' ' 24' ' ' LYS . 1.7 tppp? -56.9 -37.83 71.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -45.46 -54.13 7.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -61.75 -38.87 89.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.548 ' HB2' HG21 ' A' ' 8' ' ' VAL . 32.0 tp -59.05 -56.24 24.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' HE2' ' CG ' ' A' ' 20' ' ' LYS . 50.7 mttm -46.67 -59.1 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.3 t -51.31 -36.61 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.447 ' O ' ' C ' ' A' ' 27' ' ' ASN . 3.9 t60 -69.94 -58.3 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.799 0.333 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.459 ' HG2' ' N ' ' A' ' 38' ' ' CYS . 36.7 tt0 -145.03 160.75 40.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.573 ' HA ' HD11 ' A' ' 51' ' ' LEU . 4.6 t -79.94 112.7 32.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.681 0.753 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 1.02 4.83 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -99.66 -41.47 7.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.8 p -120.08 -40.62 2.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.6 33.31 2.91 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.458 ' HD2' ' CZ ' ' A' ' 45' ' ' TYR . 5.5 tmtm? -94.98 111.74 23.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.1 m -67.59 158.1 32.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.458 ' CZ ' ' HD2' ' A' ' 43' ' ' LYS . 18.8 m-85 -150.1 146.16 26.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -62.06 -54.61 39.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -111.68 150.5 30.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' GLU . 24.2 tttt -56.96 -53.71 54.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' LYS . 3.3 mp0 -37.66 -59.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -47.77 -46.0 29.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.573 HD11 ' HA ' ' A' ' 38' ' ' CYS . 8.1 tp -62.01 -50.58 71.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.1 mt -53.05 -47.98 68.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 56' ' ' ALA . 59.7 mt-10 -58.75 -66.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 53' ' ' GLU . 3.0 t60 -35.61 -42.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -59.79 -48.9 79.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 53' ' ' GLU . . . -75.61 -54.24 7.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -54.14 -61.58 2.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.2 m120 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.95 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 77' ' ' ARG . 29.0 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.878 0.371 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 26.8 m-85 -119.34 147.82 43.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.0 m -110.59 126.2 54.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.432 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.2 t -50.16 176.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 m -117.16 4.58 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.461 HG23 ' HE1' ' A' ' 86' ' ' MET . 92.0 t -127.96 -47.38 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.479 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.6 p -113.54 -0.47 14.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.411 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 14.5 mm-40 58.28 34.81 24.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -57.27 -176.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.2 p -125.98 123.27 38.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 74' ' ' GLU . 9.2 m-85 -129.79 117.62 20.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.517 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -52.19 -33.27 40.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -123.66 165.93 16.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.565 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 12.5 tpt180 -72.72 -61.42 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 79' ' ' ARG . 2.6 tpt -35.92 -48.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -48.11 -51.78 23.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.474 HD13 ' CE1' ' A' ' 76' ' ' PHE . 18.5 tp -52.92 -37.11 60.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -64.74 -45.24 87.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.489 ' O ' HG22 ' A' ' 87' ' ' VAL . 6.4 mt -70.57 -16.38 62.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -87.21 -43.3 12.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.461 ' HE1' HG23 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -49.62 -32.54 13.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 84' ' ' LEU . 10.3 m -47.64 -35.92 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -66.38 -30.09 70.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.449 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 59.3 m-70 -81.56 -53.06 6.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.0 t -67.82 -40.35 83.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 83.7 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.965 0.412 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -155.08 146.24 22.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -79.3 -174.59 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.9 m -124.38 -45.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.575 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.3 t -70.73 -49.56 45.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.503 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.3 p -101.47 -15.73 17.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.0 m 66.02 31.98 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.503 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.3 mm-40 -62.32 -174.18 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.553 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 30.9 mt-30 -142.37 143.92 32.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.553 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.0 m-85 -147.11 165.52 29.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.1 mmt -99.87 -26.8 13.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -117.08 157.24 26.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 80.0 tttt -72.26 -50.86 23.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 33.9 pttt -55.58 -38.21 69.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.29 -36.02 72.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.6 tp -76.13 -51.15 12.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -49.29 -50.04 40.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.422 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 2.3 t -62.04 -41.2 97.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.512 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.2 t60 -59.42 -38.76 81.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.875 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.454 ' O ' ' C ' ' A' ' 118' ' ' HIS . 42.3 mtp -77.29 -31.66 54.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.2 mt -76.46 -28.75 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.422 ' CD ' ' O ' ' A' ' 112' ' ' SER . 0.5 OUTLIER -86.96 -56.63 3.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.802 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.512 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.9 mt -79.28 -56.13 4.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 95.4 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.73 HG11 ' HD3' ' A' ' 20' ' ' LYS . 26.5 m -82.22 -179.62 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -152.2 148.74 27.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.431 ' C ' ' H ' ' A' ' 12' ' ' THR . 3.5 t -88.25 117.15 68.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.641 0.734 . . . . 0.0 110.85 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 12.34 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.721 2.28 . . . . 0.0 112.334 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.431 ' H ' ' C ' ' A' ' 10' ' ' CYS . 50.6 m -120.71 -58.39 1.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.9 p -100.84 -8.81 22.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 64.19 43.14 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.545 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 14.1 ttmm -103.79 109.31 20.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -77.33 140.22 39.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.545 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 70.9 m-85 -128.0 159.41 35.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.8 mt -49.55 -64.83 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 t -125.34 151.13 46.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.73 ' HD3' HG11 ' A' ' 8' ' ' VAL . 9.1 tppt? -44.87 -46.2 10.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.537 ' O ' HG23 ' A' ' 25' ' ' VAL . 36.7 t80 -37.27 -39.53 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -76.95 -36.88 56.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 20' ' ' LYS . 27.9 tp -67.54 -46.24 73.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -61.95 -38.49 88.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 21' ' ' TYR . 78.6 t -73.07 -38.52 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -70.31 -48.55 56.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.881 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.814 0.34 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.434 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 26.1 tt0 -154.52 156.48 36.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.1 t -76.55 113.05 25.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.582 0.706 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 1.88 4.05 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.623 2.215 . . . . 0.0 112.353 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -98.02 -38.55 9.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.4 p -124.56 -46.32 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.8 46.33 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.434 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 13.6 tptm -102.43 125.12 49.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.73 0.3 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 20.3 p -72.55 147.19 46.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -152.22 116.64 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -44.0 -57.64 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -97.82 149.3 22.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' GLU . 9.3 ttpp -73.94 -53.23 10.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' LYS . 14.6 mm-40 -36.55 -59.02 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -53.25 -46.7 69.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.2 tp -57.09 -52.46 65.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.3 mt -46.86 -40.21 13.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 54' ' ' HIS . 32.8 mt-10 -63.91 -65.17 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' GLU . 2.6 t60 -36.14 -48.7 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -40.26 -45.72 2.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -93.14 -43.47 8.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -54.25 -62.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 77' ' ' ARG . 35.8 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.846 0.355 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 9.9 m-85 -116.07 150.39 37.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.9 m -115.05 130.93 57.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.436 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.7 t -60.72 172.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.4 t -114.84 5.99 15.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.445 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 87.0 t -126.48 -48.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.4 p -114.24 -1.89 13.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 58.03 39.65 26.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.592 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.2 tp10 -64.1 -176.52 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.4 p -127.91 125.68 40.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.592 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 8.2 m-85 -130.84 120.89 24.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.469 ' H ' ' CD ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -56.03 -31.52 63.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.894 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -120.96 174.5 6.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.586 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 4.2 tpt180 -84.76 -54.44 4.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.1 tpt -44.33 -48.95 9.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -47.6 -48.17 28.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.554 HD13 ' CE1' ' A' ' 76' ' ' PHE . 18.7 tp -55.22 -42.97 74.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -58.6 -46.13 87.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.409 ' O ' HG22 ' A' ' 87' ' ' VAL . 6.7 mt -69.18 -13.29 62.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.405 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 30.9 t60 -90.25 -43.52 10.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.809 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -30.93 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 84' ' ' LEU . 7.0 m -50.43 -34.32 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.5 t -65.77 -29.05 69.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.445 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 69.7 m-70 -85.01 -54.65 4.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 91' ' ' GLY . 7.9 t -69.22 -42.77 75.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.432 ' N ' HG23 ' A' ' 90' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.959 0.409 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -154.9 155.26 33.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -88.93 -175.58 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.7 t -123.79 -45.41 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 m -69.77 -51.03 37.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.428 ' SG ' ' HG3' ' A' ' 102' ' ' GLN . 31.8 p -99.32 -21.77 15.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 6.7 m 74.93 27.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.528 ' OE1' ' CZ ' ' A' ' 104' ' ' PHE . 1.2 mt-30 -60.3 -173.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.555 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 27.5 mt-30 -140.0 152.63 46.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 9.3 m-85 -158.93 156.23 29.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.8 mtm -103.1 -20.22 14.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -117.83 144.72 45.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -56.34 -57.52 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 16.4 pttm -52.58 -37.09 57.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.478 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 36.1 t0 -56.11 -38.97 71.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.454 HD13 ' CE1' ' A' ' 104' ' ' PHE . 24.1 tp -83.17 -56.43 3.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -48.13 -49.86 30.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -63.25 -39.55 94.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.531 ' CE1' HD12 ' A' ' 117' ' ' LEU . 3.3 t60 -59.97 -40.7 89.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 118' ' ' HIS . 47.7 mtp -75.38 -28.8 59.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 19.1 mt -78.84 -27.67 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.165 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -90.73 -56.23 3.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.531 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.5 mt -76.69 -54.11 7.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 114' ' ' MET . 75.8 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.442 HG11 ' HG2' ' A' ' 20' ' ' LYS . 29.6 m -86.57 -175.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -145.7 129.96 17.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 14' ' ' HIS . 42.4 t -79.83 112.93 33.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.654 0.74 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 3.01 3.01 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -98.55 -52.88 3.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.416 ' SG ' ' CB ' ' A' ' 15' ' ' LYS . 27.9 p -121.5 14.82 11.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 10' ' ' CYS . 56.0 m-70 54.19 25.0 5.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' HG2' ' CZ ' ' A' ' 17' ' ' PHE . 1.1 ttmp? -88.86 109.67 20.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -79.73 158.81 26.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.423 ' CZ ' ' HG2' ' A' ' 15' ' ' LYS . 73.7 m-85 -139.36 179.27 6.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 mp -68.04 -48.1 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.2 t -147.77 169.57 19.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' LEU . 2.7 mmmm -52.35 -49.0 65.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.596 ' O ' HG23 ' A' ' 25' ' ' VAL . 8.7 t80 -36.72 -43.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -70.8 -40.62 72.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.961 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 20' ' ' LYS . 65.9 tp -65.49 -52.51 52.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.417 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 3.2 ptpp? -59.88 -23.4 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 21' ' ' TYR . 69.5 t -93.11 -23.14 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -93.76 -19.94 20.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.401 ' CD2' ' HB2' ' A' ' 48' ' ' LYS . 74.1 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 32.5 tt0 -166.79 138.36 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.543 ' CA ' HD11 ' A' ' 51' ' ' LEU . 4.4 t -53.49 110.18 1.9 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 54.1 Cg_endo -69.67 1.68 4.16 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.275 . . . . 0.0 112.37 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -100.4 -41.52 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.2 p -117.9 -42.25 2.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.56 40.45 1.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.408 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -98.68 123.27 42.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.727 0.299 . . . . 0.0 110.907 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.544 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 26.3 p -66.64 158.93 28.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 44' ' ' CYS . 23.8 m-85 -163.98 110.74 1.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -44.86 -50.93 10.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -104.38 120.83 42.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HB2' ' CD2' ' A' ' 36' ' ' PHE . 69.5 tttt -51.6 -48.69 63.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -40.28 -58.87 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -50.08 -56.99 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.543 HD11 ' CA ' ' A' ' 38' ' ' CYS . 35.6 tp -43.32 -59.07 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.2 mt -42.61 -43.63 3.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -63.47 -40.59 97.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -58.26 -52.85 63.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.817 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -39.52 -45.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.15 -47.08 13.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -54.46 -64.29 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.0 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.867 0.365 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -109.36 165.25 11.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 92.3 m -127.79 128.32 45.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.418 ' SG ' ' CE ' ' A' ' 86' ' ' MET . 6.5 t -58.33 170.28 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.2 t -113.27 6.91 17.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.44 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 60.1 t -125.24 -49.17 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.9 p -112.36 -6.13 14.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 63.23 35.85 12.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 3.2 tp10 -60.42 -178.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.8 p -125.47 126.64 45.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 9.7 m-85 -128.81 157.53 41.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -93.43 -30.48 15.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.408 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 23.3 mtt180 -127.04 163.58 23.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -67.74 -56.28 9.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.404 ' HE2' ' HB2' ' A' ' 83' ' ' ARG . 4.6 tpt -44.78 -50.06 10.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -44.28 -50.03 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.469 HD13 ' CE1' ' A' ' 76' ' ' PHE . 26.0 tp -59.25 -37.86 78.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.404 ' HB2' ' HE2' ' A' ' 80' ' ' MET . 17.4 mmm180 -63.02 -40.15 96.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 mt -74.72 -14.19 60.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.403 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 21.4 t60 -91.94 -41.44 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.418 ' CE ' ' SG ' ' A' ' 69' ' ' CYS . 0.1 OUTLIER -51.35 -33.17 28.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.1 m -50.07 -33.81 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.2 p -65.26 -30.07 70.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.44 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 61.9 m-70 -82.02 -54.47 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.508 HG23 ' N ' ' A' ' 91' ' ' GLY . 6.2 t -68.02 -47.85 67.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.508 ' N ' HG23 ' A' ' 90' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.547 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 85.9 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.971 0.415 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -156.62 147.71 22.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.5 t -81.17 -175.52 5.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.4 t -123.98 -47.4 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -67.1 -50.12 62.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.435 ' SG ' ' HG3' ' A' ' 102' ' ' GLN . 31.3 p -99.05 -24.15 15.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m 74.54 30.54 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.435 ' HG3' ' SG ' ' A' ' 100' ' ' CYS . 1.8 mt-30 -65.75 -175.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.615 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 31.5 mt-30 -139.72 149.51 43.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.615 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.0 m-85 -148.86 161.1 42.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.7 mmt -96.0 -27.62 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -117.17 159.52 22.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.547 ' HG3' ' CE1' ' A' ' 95' ' ' TYR . 6.5 ttpp -71.26 -59.45 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.406 ' CD ' ' H ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -49.79 -35.47 22.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -57.62 -38.04 74.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.4 tp -77.63 -52.04 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -47.18 -49.94 21.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.454 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 1.4 t -63.53 -41.12 98.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.483 ' CE1' HD12 ' A' ' 117' ' ' LEU . 3.1 t60 -59.16 -39.42 82.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 118' ' ' HIS . 47.9 mtp -76.65 -30.71 56.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 19.1 mt -77.49 -28.56 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.454 ' CD ' ' O ' ' A' ' 112' ' ' SER . 1.1 mptm? -87.21 -57.57 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.494 HD23 ' N ' ' A' ' 117' ' ' LEU . 4.8 mt -76.52 -55.56 5.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' MET . 69.2 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.428 HG11 ' HG3' ' A' ' 20' ' ' LYS . 27.6 m -77.11 -177.47 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 111.118 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -143.77 134.2 24.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.9 t -83.14 114.51 53.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.647 0.736 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 5.05 1.84 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -99.66 -52.84 3.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.4 p -122.94 13.46 9.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 57.41 24.96 10.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.414 ' HG2' ' CZ ' ' A' ' 17' ' ' PHE . 25.2 ttmt -88.71 113.62 24.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -82.55 162.54 21.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.433 ' CZ ' ' CG ' ' A' ' 26' ' ' HIS . 88.3 m-85 -143.82 175.57 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.3 mt -70.53 -57.31 4.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.9 t -129.33 163.45 25.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HG3' HG11 ' A' ' 8' ' ' VAL . 4.1 mppt? -58.23 -31.49 67.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.451 ' O ' HG23 ' A' ' 25' ' ' VAL . 54.3 t80 -52.1 -38.7 58.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -79.22 -29.75 42.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.96 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.3 tp -70.71 -47.93 57.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -61.13 -39.59 90.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 21' ' ' TYR . 86.7 t -73.23 -41.41 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.433 ' CG ' ' CZ ' ' A' ' 17' ' ' PHE . 4.2 t60 -67.18 -41.93 85.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.6 t30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.5 ' HB3' HD22 ' A' ' 51' ' ' LEU . 64.0 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.788 0.328 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 44' ' ' CYS . 40.4 tt0 -165.6 150.52 8.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.1 t -68.9 113.36 15.67 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.717 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.22 4.66 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -101.03 -45.68 5.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.8 p -113.38 -39.59 4.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.54 38.94 2.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.526 ' HD3' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -99.01 100.25 11.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.732 0.301 . . . . 0.0 110.925 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.534 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 25.9 p -44.63 167.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.534 ' CG ' ' O ' ' A' ' 44' ' ' CYS . 9.7 m-85 -175.25 111.04 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.99 -41.22 97.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -85.84 112.49 21.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -49.55 -56.54 9.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -47.37 -57.21 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -46.5 -48.6 19.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.5 HD22 ' HB3' ' A' ' 36' ' ' PHE . 31.9 tp -55.36 -53.37 57.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 74.0 mt -54.59 -42.19 70.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 56' ' ' ALA . 19.2 mt-10 -61.41 -64.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 53' ' ' GLU . 1.2 t60 -35.58 -46.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.19 -45.52 53.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' GLU . . . -83.3 -49.42 9.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.055 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -64.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.914 0.388 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -108.63 168.13 9.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.0 m -132.03 124.98 30.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 7.3 t -56.17 169.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.9 t -112.9 5.7 17.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.572 HG11 ' ND1' ' A' ' 89' ' ' HIS . 98.4 t -123.29 -48.88 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.8 p -112.91 -6.24 13.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 63.47 35.63 11.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.595 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.8 tp10 -59.6 -178.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.3 p -126.89 127.54 45.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.595 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 9.4 m-85 -130.21 158.16 40.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -91.16 -32.3 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 69.6 mtt180 -127.61 160.25 32.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -62.36 -61.35 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.451 ' HE2' ' HB2' ' A' ' 83' ' ' ARG . 1.5 tpt -38.86 -50.8 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -43.63 -50.13 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.522 HD13 ' CE1' ' A' ' 76' ' ' PHE . 21.3 tp -55.28 -42.81 74.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.451 ' HB2' ' HE2' ' A' ' 80' ' ' MET . 5.3 mmp_? -58.6 -51.76 68.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.404 ' O ' HG22 ' A' ' 87' ' ' VAL . 5.6 mt -60.61 -19.17 57.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -89.62 -42.08 11.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -50.79 -34.11 26.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 84' ' ' LEU . 4.4 m -48.93 -33.27 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 m -66.34 -29.65 69.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.572 ' ND1' HG11 ' A' ' 71' ' ' VAL . 68.1 m-70 -83.3 -54.37 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 t -67.2 -40.59 86.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.949 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 87.0 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.905 0.383 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -153.21 147.82 26.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.61 -178.24 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 t -118.42 -46.46 2.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.1 t -68.82 -54.38 16.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 32.0 p -94.11 -21.39 19.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.5 m 69.89 27.88 4.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -63.27 -175.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.517 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 34.9 mt-30 -136.81 152.04 49.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 5.4 m-85 -149.66 160.22 43.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.8 mmt -97.35 -26.36 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -122.61 151.84 41.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 20.3 tttp -64.74 -49.04 72.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -58.02 -27.19 63.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.28 -32.44 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.435 HD13 ' CE1' ' A' ' 104' ' ' PHE . 16.5 tp -80.49 -48.82 12.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -51.38 -52.3 47.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.408 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 2.9 t -61.53 -36.56 80.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.587 ' CE1' HD12 ' A' ' 117' ' ' LEU . 2.7 t60 -63.25 -39.91 95.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 118' ' ' HIS . 38.4 mtp -75.86 -26.6 57.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.9 mt -80.64 -27.43 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 112' ' ' SER . 5.5 mptt -90.24 -59.29 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.587 HD12 ' CE1' ' A' ' 113' ' ' HIS . 7.2 mt -73.42 -52.58 13.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' MET . 84.2 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.6 m -66.81 167.74 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -135.92 136.9 40.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.0 t -85.8 115.55 62.12 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 4.8 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.364 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -100.06 -54.57 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.101 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.2 p -119.68 12.97 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 54.84 28.21 10.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.472 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 10.2 ttmm -90.05 110.7 21.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -85.46 158.88 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.472 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 56.0 m-85 -138.2 -179.58 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.429 ' H ' HD12 ' A' ' 18' ' ' LEU . 5.8 mp -73.56 -52.34 13.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.52 173.99 11.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -59.38 -47.63 84.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -38.07 -53.77 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -59.38 -50.84 72.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.6 tp -53.51 -41.4 66.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -62.72 -51.01 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.4 -34.91 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.484 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 4.3 t60 -73.36 -63.54 1.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.484 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.556 ' CE2' ' HE3' ' A' ' 48' ' ' LYS . 84.5 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.79 0.328 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.425 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 49.4 tt0 -158.49 128.83 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.527 ' HA ' HD11 ' A' ' 51' ' ' LEU . 4.3 t -47.8 110.92 1.5 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.605 0.716 . . . . 0.0 110.833 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 0.54 5.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.391 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -97.96 -42.08 7.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.9 p -117.75 -47.0 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.64 36.01 0.94 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.425 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 13.8 tptm -93.72 114.86 27.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.2 p -68.58 149.43 49.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -155.04 119.4 4.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -51.01 -55.43 17.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -97.64 134.25 41.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.556 ' HE3' ' CE2' ' A' ' 36' ' ' PHE . 14.3 ttmt -59.52 -46.07 89.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -39.58 -60.67 0.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -50.88 -55.16 18.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.527 HD11 ' HA ' ' A' ' 38' ' ' CYS . 23.5 tp -47.1 -58.9 3.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.7 mt -48.91 -42.71 37.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.13 -48.14 83.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -54.02 -38.71 65.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -55.47 -63.46 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.23 -49.24 70.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -53.49 -63.32 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.5 t30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.934 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.906 0.384 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 10.4 m-85 -112.66 151.28 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 96.0 m -115.11 127.93 55.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.429 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 5.8 t -56.86 171.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.0 t -112.43 5.96 18.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.496 HG11 ' ND1' ' A' ' 89' ' ' HIS . 90.9 t -126.43 -48.7 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 27.2 p -113.78 -2.41 13.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.429 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 36.9 mm-40 60.08 35.01 21.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.597 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -58.79 -175.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.1 p -127.19 127.47 44.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.597 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 8.4 m-85 -133.6 118.47 18.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.413 ' H ' ' CD ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -51.69 -33.9 36.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.405 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 14.8 mtp180 -124.59 169.55 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.556 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 12.3 tpt180 -75.42 -59.78 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' ARG . 2.9 tpt -37.3 -49.12 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -48.37 -48.69 36.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.528 HD13 ' CE1' ' A' ' 76' ' ' PHE . 25.6 tp -56.43 -38.49 71.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -62.41 -44.67 95.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.06 -13.84 62.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -90.73 -41.99 10.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.11 -32.39 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.413 HG12 ' CE ' ' A' ' 105' ' ' MET . 10.4 m -48.24 -35.35 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.091 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.7 m -65.79 -29.5 70.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.496 ' ND1' HG11 ' A' ' 71' ' ' VAL . 64.6 m-70 -83.92 -55.16 4.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 91' ' ' GLY . 7.8 t -65.77 -43.66 88.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.437 ' N ' HG23 ' A' ' 90' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.919 0.39 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -150.41 149.04 29.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -81.79 -174.44 5.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.9 p -122.97 -46.01 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.466 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.8 t -70.25 -48.24 57.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.868 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.511 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 19.8 p -102.62 -17.55 15.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.848 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.4 m 66.42 35.35 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.511 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.4 mm-40 -64.97 -174.75 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -140.79 140.46 34.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 6.2 m-85 -144.93 157.29 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.413 ' CE ' HG12 ' A' ' 87' ' ' VAL . 11.0 mmt -94.27 -26.58 16.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -116.74 154.35 30.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -67.29 -51.01 57.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 9.2 ptpp? -55.51 -39.91 71.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 6.9 t0 -55.44 -36.65 66.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' A' ' 104' ' ' PHE . 19.2 tp -80.71 -49.34 11.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -49.75 -52.02 34.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.7 t -62.75 -41.67 99.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.525 ' CE1' HD12 ' A' ' 117' ' ' LEU . 5.7 t60 -57.67 -37.72 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.464 ' O ' ' C ' ' A' ' 118' ' ' HIS . 38.6 mtp -80.6 -26.04 38.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.5 mt -80.19 -29.22 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.63 -59.09 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.525 HD12 ' CE1' ' A' ' 113' ' ' HIS . 4.7 mt -76.69 -54.63 6.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.466 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 92.4 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.9 m -93.46 169.02 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 0.0 111.095 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.401 ' OE2' ' HE2' ' A' ' 16' ' ' LYS . 27.5 tt0 -139.81 131.93 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.2 t -78.7 114.85 47.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.649 0.738 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 5.05 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.739 2.292 . . . . 0.0 112.351 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 m -100.43 -54.42 2.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 25.3 p -121.81 17.1 11.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 52.97 25.83 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 32.1 tttt -85.25 106.86 16.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HE2' ' OE2' ' A' ' 9' ' ' GLU . 41.5 mttt -79.68 160.6 26.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.44 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 63.5 m-85 -139.91 -178.2 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.674 HD23 ' H ' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -85.43 -39.85 17.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -135.77 174.26 10.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.43 -48.78 38.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.614 ' O ' HG23 ' A' ' 25' ' ' VAL . 74.6 t80 -39.49 -43.58 1.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.621 ' HE2' HD11 ' A' ' 18' ' ' LEU . 8.3 m-85 -69.22 -39.61 78.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' LYS . 27.3 tp -62.51 -54.17 43.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 18.3 ptmt -56.33 -43.63 79.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 21' ' ' TYR . 80.1 t -66.7 -39.79 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -67.15 -49.73 63.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.888 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.79 0.328 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 44' ' ' CYS . 35.7 tt0 -160.93 134.89 6.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 33.9 t -54.07 113.12 4.57 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.617 0.723 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 54.1 Cg_endo -69.72 -3.08 11.27 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.52 -41.55 10.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.937 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.7 p -119.66 -47.7 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.04 26.37 2.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -83.05 105.87 14.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 6.1 p -69.07 151.7 46.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -154.4 129.81 9.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -53.24 -54.15 40.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.25 145.86 27.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HD2' HD23 ' A' ' 51' ' ' LEU . 46.9 tptt -67.07 -42.36 84.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -42.93 -66.1 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -46.93 -48.48 21.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.468 HD23 ' HD2' ' A' ' 48' ' ' LYS . 54.4 tp -55.79 -50.01 71.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.2 mt -51.44 -45.94 62.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 54' ' ' HIS . 43.0 mt-10 -58.2 -65.44 0.65 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 55' ' ' GLU . 2.5 t60 -35.45 -57.48 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' HIS . 5.1 mm-40 -34.37 -44.22 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.15 -41.3 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -54.22 -61.07 2.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.2 t30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.406 ' CB ' ' O ' ' A' ' 76' ' ' PHE . 6.8 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.874 0.368 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 12.1 m-85 -110.5 155.41 22.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 85.0 m -121.42 127.14 50.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.134 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.4 t -58.61 170.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.2 t -112.91 2.99 16.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.443 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 62.0 t -121.49 -48.45 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.441 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.4 p -113.22 -4.26 13.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 60.5 36.94 19.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 3.2 tp10 -59.25 -178.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.1 p -128.22 123.38 34.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.185 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 11.5 m-85 -125.97 161.44 27.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -95.9 -31.97 12.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.438 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 38.6 mtt-85 -123.49 158.68 30.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 6.6 ttp-105 -65.74 -62.26 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.1 tpt -38.86 -47.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -46.63 -50.62 17.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.456 HD13 ' CE1' ' A' ' 76' ' ' PHE . 29.1 tp -55.77 -37.88 69.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -62.4 -43.15 99.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 87' ' ' VAL . 7.1 mt -72.25 -13.34 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -90.92 -43.38 10.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -53.19 -34.75 58.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 84' ' ' LEU . 4.2 m -50.33 -32.52 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.9 p -70.12 -28.12 65.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.443 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 29.5 m-70 -79.68 -47.17 15.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.4 t -76.58 -35.8 57.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.499 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 88.9 m-85 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.92 0.391 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -153.99 149.0 26.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.08 -175.47 5.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.9 p -120.49 -47.56 2.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.501 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.6 t -67.66 -52.67 35.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 30.6 p -94.96 -26.05 16.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t 74.97 26.45 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -62.34 -175.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.539 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 35.2 mt-30 -137.11 152.23 49.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.539 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 8.0 m-85 -151.4 155.71 39.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.2 mmt -92.87 -26.14 17.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -114.86 165.46 12.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 20.3 ttmt -81.9 -47.52 12.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -32.4 70.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -62.04 -37.69 85.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.2 tp -75.76 -52.23 10.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -48.69 -50.5 33.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.444 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 2.2 t -65.01 -35.7 82.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.834 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.598 ' CE1' HD12 ' A' ' 117' ' ' LEU . 3.0 t60 -62.8 -39.2 93.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 118' ' ' HIS . 44.7 mtp -77.2 -28.79 53.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 16.9 mt -78.96 -23.36 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.444 ' CD ' ' O ' ' A' ' 112' ' ' SER . 2.4 mptp? -95.97 -56.74 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.598 HD12 ' CE1' ' A' ' 113' ' ' HIS . 6.3 mt -75.66 -45.15 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.501 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 96.3 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 m -99.21 168.6 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -137.25 145.75 43.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.4 t -94.28 116.43 66.41 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.63 0.729 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 8.67 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.334 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -104.42 -55.56 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.9 p -118.93 15.35 13.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 50.25 34.79 9.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -95.59 112.15 23.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -82.91 155.72 23.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -133.63 172.37 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.693 HD23 ' H ' ' A' ' 18' ' ' LEU . 0.6 OUTLIER -80.56 -39.42 27.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.4 p -135.73 159.8 40.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 21' ' ' TYR . 3.0 mppt? -57.25 -57.19 13.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.468 ' C ' ' O ' ' A' ' 20' ' ' LYS . 32.2 t80 -32.44 -62.53 0.23 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.653 ' HE2' HD11 ' A' ' 18' ' ' LEU . 7.3 m-85 -47.68 -53.02 16.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.9 tp -48.4 -50.44 30.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.53 -65.7 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.2 t -45.5 -29.92 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -77.01 -55.19 5.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.416 ' C ' ' ND2' ' A' ' 27' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.818 0.342 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.416 ' OE2' ' O ' ' A' ' 42' ' ' GLY . 61.1 tt0 -154.77 127.32 7.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.514 ' CA ' HD11 ' A' ' 51' ' ' LEU . 3.8 t -42.21 110.32 0.81 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.636 0.731 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 0.35 5.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.28 . . . . 0.0 112.326 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -98.15 -46.12 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.4 p -112.17 -45.07 3.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.416 ' O ' ' OE2' ' A' ' 37' ' ' GLU . . . 111.14 42.96 1.04 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.59 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 6.0 tmtt? -100.98 109.83 21.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.731 0.301 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 75.5 m -61.05 153.91 24.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.59 ' CE2' ' HD2' ' A' ' 43' ' ' LYS . 16.8 m-85 -153.11 139.9 19.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -50.42 -58.26 6.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -116.24 164.59 14.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -71.38 -52.44 18.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -38.81 -54.39 1.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -54.93 -50.65 68.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.514 HD11 ' CA ' ' A' ' 38' ' ' CYS . 24.9 tp -48.76 -51.15 30.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.8 mt -50.47 -44.32 55.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -55.55 -38.25 69.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 54' ' ' HIS . 1.5 t60 -69.15 -52.07 31.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -43.49 -42.97 5.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.74 -48.17 9.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -56.39 -63.58 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.419 ' O ' ' CE1' ' A' ' 54' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.879 0.371 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -111.61 161.09 16.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.3 m -126.28 129.51 49.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.136 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.472 ' SG ' ' CE ' ' A' ' 86' ' ' MET . 7.4 t -61.73 169.64 2.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.7 t -111.46 -1.05 16.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.473 HG11 ' ND1' ' A' ' 89' ' ' HIS . 95.0 t -115.43 -50.21 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.5 p -111.85 -6.34 14.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.404 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 53.2 mm-40 63.73 32.82 13.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.599 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.4 tp10 -56.35 -179.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.6 p -126.34 127.0 44.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.599 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 6.4 m-85 -128.47 178.94 5.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.26 -31.42 4.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -122.76 150.86 42.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.444 HH21 HD23 ' A' ' 82' ' ' LEU . 3.5 tpm_? -57.97 -56.54 20.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.446 ' HE2' ' HB2' ' A' ' 83' ' ' ARG . 4.6 tpt -46.04 -53.31 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -40.92 -53.21 2.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.546 HD13 ' CE1' ' A' ' 76' ' ' PHE . 24.7 tp -55.88 -39.7 71.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.446 ' HB2' ' HE2' ' A' ' 80' ' ' MET . 23.9 mmt180 -62.01 -40.12 94.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.2 mt -73.41 -14.69 61.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.406 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 21.8 t60 -91.64 -42.9 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.472 ' CE ' ' SG ' ' A' ' 69' ' ' CYS . 0.1 OUTLIER -50.23 -36.79 32.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.406 ' H ' HG13 ' A' ' 87' ' ' VAL . 3.3 m -49.04 -35.53 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.177 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.2 t -62.26 -31.13 71.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.473 ' ND1' HG11 ' A' ' 71' ' ' VAL . 57.9 m-70 -77.58 -32.58 53.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.6 t -107.28 24.15 13.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.966 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 77.7 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.966 0.412 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -152.87 145.67 24.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -79.44 -175.84 4.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.2 t -123.19 -44.31 2.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.529 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.4 t -70.44 -47.26 61.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.505 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 20.7 p -103.67 -18.07 14.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.0 m 66.81 36.91 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.505 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.8 mm-40 -68.43 -174.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -142.11 140.62 32.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 5.3 m-85 -142.72 161.63 37.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.9 mmt -95.94 -27.76 15.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -117.06 154.66 30.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 80.9 tttt -67.95 -51.27 49.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.8 -38.78 67.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -55.77 -38.44 69.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.3 tp -75.68 -52.27 10.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -48.2 -50.16 30.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -63.31 -40.41 97.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.541 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.7 t60 -59.72 -40.14 87.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.457 ' O ' ' C ' ' A' ' 118' ' ' HIS . 40.0 mtp -77.66 -28.93 51.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 21.0 mt -77.89 -28.14 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -88.08 -58.1 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.541 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.6 mt -78.05 -54.66 6.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.529 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 95.1 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 m -49.89 133.31 22.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -129.7 163.6 25.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.823 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.91 -145.89 6.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -158.94 171.92 19.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 t -40.76 127.73 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.84 179.4 39.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.721 HG11 ' HD3' ' A' ' 20' ' ' LYS . 35.8 m -73.71 -175.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.154 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -153.5 140.37 19.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.404 ' C ' ' H ' ' A' ' 12' ' ' THR . 8.2 t -81.44 117.1 66.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.636 0.731 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 9.87 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.409 HG21 ' CG ' ' A' ' 30' ' ' HIS . 79.9 m -114.09 -59.46 2.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.5 p -100.62 -12.98 18.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 72.6 m-70 69.47 44.07 0.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -107.97 110.1 21.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -74.09 152.2 39.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -133.35 178.77 6.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.691 HD21 ' HE2' ' A' ' 22' ' ' TYR . 1.9 pp -80.59 -36.4 32.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.449 ' HB2' HD12 ' A' ' 18' ' ' LEU . 41.1 t -144.32 144.57 31.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.721 ' HD3' HG11 ' A' ' 8' ' ' VAL . 7.6 tppt? -48.17 -46.15 34.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' LYS . 15.9 t80 -36.6 -59.82 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.691 ' HE2' HD21 ' A' ' 18' ' ' LEU . 25.3 m-85 -59.0 -46.1 89.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.948 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.705 HD22 ' CG2' ' A' ' 8' ' ' VAL . 38.7 tp -52.39 -50.52 62.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -55.83 -64.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.466 ' O ' ' CG ' ' A' ' 28' ' ' ARG . 58.1 t -49.17 -31.54 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -69.93 -43.81 70.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.44 ' C ' ' ND2' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -62.95 -23.97 67.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.466 ' CG ' ' O ' ' A' ' 25' ' ' VAL . 7.7 mmt85 -36.45 -42.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 30' ' ' HIS . 62.0 mmtt -65.21 -61.78 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 29' ' ' LYS . 20.4 m-70 -33.74 -60.04 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.8 t -64.86 143.3 58.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.103 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.39 101.46 2.65 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.458 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -44.92 144.85 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.951 0.405 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.418 ' HG3' ' CB ' ' A' ' 44' ' ' CYS . 33.1 mmtm -135.82 148.92 67.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.587 0.708 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -51.27 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.388 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.44 ' HB3' HD22 ' A' ' 51' ' ' LEU . 89.3 m-85 -136.2 166.79 22.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.454 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 34.4 tt0 -164.48 130.61 2.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.593 ' HA ' HD11 ' A' ' 51' ' ' LEU . 6.9 t -44.92 112.05 1.41 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.674 0.75 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -2.37 10.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -95.78 -45.84 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.443 ' CB ' ' HB2' ' A' ' 60' ' ' MET . 30.3 p -111.91 -46.01 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.14 37.32 1.25 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.455 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 2.9 tmtt? -95.7 111.78 23.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 29.7 p -66.17 133.66 51.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.466 ' CD2' ' HA ' ' A' ' 51' ' ' LEU . 5.2 m-85 -134.9 100.87 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' TYR . 9.5 t80 -37.09 -53.45 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -93.03 133.32 36.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -58.55 -51.93 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 30.6 mp0 -42.63 -50.99 5.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -56.34 -45.54 80.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.593 HD11 ' HA ' ' A' ' 38' ' ' CYS . 17.5 tp -54.69 -54.32 43.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.982 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 55' ' ' GLU . 73.2 mt -51.65 -56.1 15.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 54' ' ' HIS . 60.5 mt-10 -48.04 -66.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.48 ' CD2' ' N ' ' A' ' 55' ' ' GLU . 3.6 t60 -34.86 -61.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.48 ' N ' ' CD2' ' A' ' 54' ' ' HIS . 2.8 mm-40 -34.51 -44.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.04 -47.38 10.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -53.7 -60.94 2.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.422 ' O ' ' CE1' ' A' ' 54' ' ' HIS . 9.0 m120 -161.93 148.63 13.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 60' ' ' MET . 3.9 t -145.13 174.07 11.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 59' ' ' CYS . 39.6 ttp -34.23 129.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 62' ' ' ARG . 0.9 OUTLIER -172.16 116.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 61' ' ' ASN . 17.6 ttp180 -34.53 103.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.38 158.01 20.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.535 ' O ' HG13 ' A' ' 66' ' ' VAL . 27.5 tt0 -53.94 144.78 17.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -53.57 107.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 64' ' ' GLU . 30.6 m -116.44 173.03 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 50.3 m-85 -120.73 150.51 40.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.9 m -117.74 130.93 56.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.419 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 3.7 t -57.77 177.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.8 t -119.04 0.64 11.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.442 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 60.9 t -121.29 -47.24 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.4 p -113.38 -3.15 13.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 59.42 38.69 22.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.596 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.4 tp10 -62.5 -173.55 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.2 p -131.35 128.21 39.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.596 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 12.8 m-85 -137.64 116.5 12.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.521 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -63.85 -13.04 41.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.434 ' HG3' ' CD ' ' A' ' 77' ' ' ARG . 51.1 mtp85 -123.66 160.73 26.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 8.6 tpt180 -81.16 -51.31 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.418 ' HE2' ' HB2' ' A' ' 83' ' ' ARG . 3.7 tpt -51.43 -47.18 63.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.405 ' HG2' ' HB2' ' A' ' 78' ' ' ARG . 58.5 mm-40 -44.75 -55.36 5.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.451 HD13 ' CE1' ' A' ' 76' ' ' PHE . 46.2 tp -50.39 -44.28 54.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.418 ' HB2' ' HE2' ' A' ' 80' ' ' MET . 8.9 mmm180 -58.68 -42.91 89.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.3 mt -74.63 -13.56 60.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -90.81 -41.96 10.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.483 ' HA ' ' HE3' ' A' ' 86' ' ' MET . 0.0 OUTLIER -50.83 -35.91 34.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 m -50.63 -36.48 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.0 m -60.44 -30.59 69.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.442 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 70.1 m-70 -78.57 -36.9 43.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.4 t -106.91 28.53 7.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.81 -68.67 2.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -151.1 169.49 21.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.916 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.487 ' CG ' ' HB3' ' A' ' 103' ' ' GLN . 3.2 mtt -50.32 154.03 2.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -31.62 20.37 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -118.21 148.58 42.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -147.28 155.89 42.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.414 ' SG ' ' SD ' ' A' ' 114' ' ' MET . 1.2 t -86.72 -176.12 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.4 m -124.49 -43.27 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -70.06 -48.5 57.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.5 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 22.3 p -104.2 -21.92 13.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t 74.92 30.69 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.5 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.8 mm100 -63.8 -174.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.487 ' HB3' ' CG ' ' A' ' 93' ' ' MET . 35.6 mt-30 -138.57 143.69 39.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 6.5 m-85 -146.75 163.03 37.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.0 mmt -98.89 -25.97 14.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -116.87 153.31 32.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -68.57 -49.71 57.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -57.06 -38.81 73.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.84 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -56.98 -36.34 70.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.5 tp -76.73 -53.29 8.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -48.97 -50.75 34.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.8 t -61.65 -40.68 95.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.729 ' CE1' HD12 ' A' ' 117' ' ' LEU . 5.5 t60 -59.97 -35.1 74.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.414 ' SD ' ' SG ' ' A' ' 97' ' ' CYS . 31.3 mtp -85.1 -15.68 43.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 115' ' ' ILE . 27.9 mt -93.31 -12.85 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.491 ' O ' ' CA ' ' A' ' 120' ' ' GLY . 0.3 OUTLIER -114.23 -57.61 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.729 HD12 ' CE1' ' A' ' 113' ' ' HIS . 6.0 mt -67.26 -46.1 74.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.403 ' HB2' ' O ' ' A' ' 114' ' ' MET . 78.3 m-70 -90.44 -27.65 19.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.67 43.99 2.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 116' ' ' LYS . . . -79.82 172.14 54.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -2.53 10.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.8 t -108.13 160.51 15.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 91.8 p -103.83 42.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.485 -179.932 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.8 p -79.27 111.85 15.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.821 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 p -136.21 120.57 18.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.45 -144.81 12.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -98.6 150.92 21.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 0.0 110.903 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -154.41 177.87 10.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.98 177.47 34.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.618 HG21 ' HB2' ' A' ' 23' ' ' LEU . 29.7 m -81.18 172.66 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 0.0 111.155 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -145.53 136.8 24.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' HIS . 43.4 t -85.32 114.72 57.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.586 0.708 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 4.48 2.17 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -101.17 -51.75 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 26.6 p -118.75 6.49 11.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 10' ' ' CYS . 67.6 m-70 60.14 25.33 14.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.567 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 58.9 tttt -86.42 113.16 22.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -90.1 158.26 17.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.567 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 30.3 m-85 -137.79 -177.87 5.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.7 mt -67.99 -50.67 54.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.3 t -137.7 -176.51 4.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -69.4 -37.81 77.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -51.44 -56.31 13.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -53.77 -40.81 66.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.618 ' HB2' HG21 ' A' ' 8' ' ' VAL . 20.9 tp -57.76 -59.57 5.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -41.99 -61.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.429 ' HA ' ' NE ' ' A' ' 28' ' ' ARG . 84.3 t -49.25 -35.55 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 27' ' ' ASN . 4.0 t60 -72.48 -59.3 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' ARG . 2.1 t30 -35.2 -44.96 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' ASN . 94.9 mtt180 -33.69 -45.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -45.1 -56.74 4.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -58.8 -37.42 76.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 31' ' ' THR . 12.5 t -158.23 126.9 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.77 68.98 3.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 34' ' ' LYS . 12.9 mt-10 -86.93 159.29 19.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.931 0.396 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 33' ' ' GLU . 0.9 OUTLIER -33.21 98.82 0.14 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.586 ' HG2' ' CE1' ' A' ' 36' ' ' PHE . 53.9 Cg_endo -69.74 6.09 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.712 2.274 . . . . 0.0 112.377 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.586 ' CE1' ' HG2' ' A' ' 35' ' ' PRO . 66.1 m-85 -130.63 169.98 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 44' ' ' CYS . 39.4 tt0 -172.45 130.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.458 ' CA ' HD11 ' A' ' 51' ' ' LEU . 5.7 t -52.24 112.73 3.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 53.5 Cg_endo -69.74 1.56 4.31 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.698 2.266 . . . . 0.0 112.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -100.07 -43.52 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.0 p -115.8 -37.49 3.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 108.53 27.43 4.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.5 109.28 17.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 75.9 m -64.13 135.06 56.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.419 ' CB ' ' HB2' ' A' ' 51' ' ' LEU . 2.9 m-85 -134.94 146.64 49.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -64.98 -56.98 9.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -110.85 146.77 35.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.47 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 62.2 tttt -64.43 -39.16 93.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -47.57 -66.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -52.29 -48.27 65.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.458 HD11 ' CA ' ' A' ' 38' ' ' CYS . 34.0 tp -52.03 -46.62 65.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.5 mt -57.06 -39.89 75.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -61.12 -41.09 96.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.424 ' CE1' ' HA ' ' A' ' 59' ' ' CYS . 1.4 t60 -63.96 -36.97 85.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -56.9 -51.5 68.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.62 -49.09 17.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -53.72 -68.39 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -158.45 133.35 8.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.424 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 3.9 t -116.18 140.9 48.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 45.0 mtm -48.94 149.06 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -48.1 141.2 6.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -55.82 149.47 14.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 t -149.82 139.32 21.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -64.74 -177.18 0.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -66.84 106.61 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.7 m -109.01 168.49 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 20.8 m-85 -119.74 155.16 33.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.3 m -116.2 125.13 51.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.436 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.6 t -50.88 172.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.8 p -113.41 10.1 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.569 HG23 ' HE1' ' A' ' 86' ' ' MET . 48.4 t -133.36 -45.56 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.2 p -116.15 -0.7 12.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.418 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 38.7 mm-40 58.96 33.92 23.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 1.3 tp10 -55.6 -173.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.0 p -128.76 124.97 36.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.172 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 74' ' ' GLU . 9.6 m-85 -133.12 119.16 19.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -53.45 -32.87 51.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.439 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 86.1 mtt180 -124.78 162.23 24.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 27.2 tpt180 -68.88 -61.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 79' ' ' ARG . 3.3 tpt -36.15 -47.01 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -50.68 -47.94 58.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.498 HD13 ' CE1' ' A' ' 76' ' ' PHE . 16.1 tp -56.49 -35.76 68.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -66.63 -43.89 83.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 mt -70.57 -13.28 62.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.406 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 22.8 t60 -93.37 -39.67 10.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.569 ' HE1' HG23 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -52.74 -32.25 42.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.7 m -51.36 -30.78 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.8 m -68.46 -27.8 66.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.442 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 65.8 m-70 -83.6 -52.37 6.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -72.33 -40.43 67.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.96 -68.45 0.49 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -150.84 167.39 27.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.0 mtt -77.51 146.11 72.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.52 0.676 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -39.58 6.44 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.713 2.276 . . . . 0.0 112.356 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.478 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 82.7 m-85 -105.89 152.51 23.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -155.88 151.77 27.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -82.45 -174.71 5.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.8 t -123.44 -44.22 2.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 t -73.4 -51.58 16.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.513 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.5 p -96.93 -13.25 22.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.2 p 62.73 30.76 16.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.513 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.2 mm100 -64.73 -174.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.643 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 26.3 mt-30 -141.06 150.57 43.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.643 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.3 m-85 -150.35 162.13 41.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.2 mmt -95.76 -27.75 15.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -123.33 147.77 46.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.478 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 26.0 tttt -59.67 -57.34 13.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 109' ' ' ASP . 0.1 OUTLIER -47.67 -36.67 11.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.409 ' N ' ' HG2' ' A' ' 108' ' ' LYS . 5.9 t0 -61.8 -33.03 73.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.1 tp -80.11 -47.04 15.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -52.83 -50.71 63.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.3 -36.69 82.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.508 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.8 t60 -64.75 -35.12 80.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 34.2 mtp -82.25 -19.99 38.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.3 mt -87.06 -26.24 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -91.28 -58.48 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.509 HD23 ' N ' ' A' ' 117' ' ' LEU . 4.1 mt -77.13 -52.12 9.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 119' ' ' SER . 77.0 m-70 -89.91 34.76 0.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 118' ' ' HIS . 68.5 p -34.61 -49.41 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -115.89 -166.79 14.81 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -13.78 35.17 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.633 2.222 . . . . 0.0 112.361 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.3 t -50.33 160.13 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 95.1 p -87.08 174.25 8.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.499 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -48.78 157.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.862 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 m -121.17 158.81 27.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.18 -113.0 0.55 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -169.4 174.65 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.82 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 t -103.07 -57.79 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.33 173.16 9.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -81.48 -178.18 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -153.3 150.84 29.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.421 ' C ' ' H ' ' A' ' 12' ' ' THR . 4.1 t -88.24 117.63 68.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.663 0.744 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 11.68 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.307 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.606 HG21 ' CG ' ' A' ' 30' ' ' HIS . 19.4 m -119.4 -58.13 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 p -101.12 -7.66 22.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 63.05 45.34 5.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.45 ' HE2' ' CE2' ' A' ' 17' ' ' PHE . 54.2 tttt -106.05 113.33 26.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -80.57 141.92 34.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.906 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.45 ' CE2' ' HE2' ' A' ' 15' ' ' LYS . 46.7 m-85 -125.94 178.84 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 18' ' ' LEU . 8.3 mp -76.61 -55.57 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.7 p -126.48 145.5 50.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' LEU . 11.1 ttpt -44.44 -47.06 9.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.565 ' O ' HG23 ' A' ' 25' ' ' VAL . 15.2 t80 -38.84 -54.69 1.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -58.68 -37.07 75.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 20' ' ' LYS . 22.6 tp -69.58 -63.46 1.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 19.5 ptpt -43.86 -38.38 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 21' ' ' TYR . 86.6 t -70.98 -40.46 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.149 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.469 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 2.2 t60 -71.94 -58.08 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.469 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 11.4 t30 -35.6 -41.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.51 ' CZ ' HG13 ' A' ' 25' ' ' VAL . 42.9 mtm180 -32.85 -43.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -49.25 -52.75 25.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.606 ' CG ' HG21 ' A' ' 12' ' ' THR . 87.8 m-70 -60.71 -61.99 2.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.832 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.9 p -46.46 129.08 10.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.5 46.73 0.96 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -107.8 175.58 5.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.448 ' CG ' ' HB2' ' A' ' 44' ' ' CYS . 14.1 mptt -42.62 151.2 0.39 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.57 0.7 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -14.72 36.57 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.713 2.276 . . . . 0.0 112.349 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -142.07 142.51 32.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.433 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 22.0 tt0 -153.51 157.29 39.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.2 t -74.95 113.3 23.41 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.66 0.743 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 0.92 4.92 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.361 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -100.43 -45.24 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.8 p -113.73 -43.47 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.77 36.27 2.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.514 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 6.5 tmtm? -94.6 120.92 35.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.323 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.448 ' HB2' ' CG ' ' A' ' 34' ' ' LYS . 31.1 p -64.16 157.17 26.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.514 ' CE2' ' HD2' ' A' ' 43' ' ' LYS . 5.0 m-85 -167.72 107.85 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.16 -49.23 43.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.474 ' CG ' ' HB2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -88.38 140.52 29.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -84.04 -29.76 26.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.418 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 35.5 mp0 -55.63 -55.77 28.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.474 ' HB2' ' CG ' ' A' ' 47' ' ' ARG . 2.3 m-80 -63.55 -51.46 65.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.41 ' HB2' ' CB ' ' A' ' 45' ' ' TYR . 18.9 tp -47.7 -43.03 26.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.4 mt -58.84 -42.8 90.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 54' ' ' HIS . 36.4 mt-10 -62.86 -62.54 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.441 ' CD2' ' C ' ' A' ' 54' ' ' HIS . 1.5 t60 -36.26 -51.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -37.68 -44.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -93.7 -43.74 8.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -63.24 1.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -147.5 150.43 34.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.2 t -169.79 168.48 8.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.5 tpp -42.99 153.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -64.84 120.4 12.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -40.17 -62.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.8 t -61.58 150.61 35.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -157.84 105.58 2.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -72.16 106.78 4.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.686 HG12 ' HA ' ' A' ' 77' ' ' ARG . 35.4 m -93.68 173.28 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 10.0 m-85 -119.66 161.95 19.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.2 m -124.61 128.93 49.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.175 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.439 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 5.2 t -56.8 172.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.4 t -113.29 3.08 15.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.458 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 89.2 t -123.36 -48.83 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.0 p -113.36 -2.34 14.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.439 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 44.4 mm-40 60.15 34.71 21.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.589 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -57.41 -174.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.1 p -127.41 128.13 45.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.589 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 10.3 m-85 -135.22 114.98 12.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.686 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -48.88 -33.19 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.461 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 21.2 mtp85 -125.18 171.94 9.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.57 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 11.2 ttp180 -76.83 -64.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' ARG . 0.7 OUTLIER -33.35 -49.13 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -48.72 -53.14 20.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.518 HD13 ' CE1' ' A' ' 76' ' ' PHE . 14.3 tp -52.22 -38.89 59.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -62.31 -47.29 84.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.93 -14.43 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -91.1 -39.76 11.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.13 -32.44 35.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.462 HG12 ' CE ' ' A' ' 105' ' ' MET . 5.1 m -49.96 -33.94 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.9 m -67.08 -29.12 68.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.458 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 52.5 m-70 -82.02 -54.05 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.827 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.2 t -68.92 -39.91 79.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.61 -58.18 0.66 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -156.18 165.89 35.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.83 0.348 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.416 ' SD ' ' HB3' ' A' ' 103' ' ' GLN . 3.1 mtt -68.61 152.3 96.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.546 0.689 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -45.18 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.366 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 85.6 m-85 -102.54 154.05 19.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -155.37 151.08 27.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -86.39 -177.07 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 t -124.24 -43.17 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -71.14 -45.56 63.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.507 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.2 p -105.93 -15.56 14.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m 65.0 35.74 7.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.507 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.6 mm100 -69.09 -174.29 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.416 ' HB3' ' SD ' ' A' ' 93' ' ' MET . 28.9 mt-30 -143.63 139.61 29.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -140.19 172.3 12.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.462 ' CE ' HG12 ' A' ' 87' ' ' VAL . 9.1 mmt -108.46 -23.97 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -119.49 150.58 40.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 25.7 tttp -66.75 -46.83 74.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -62.33 -26.5 68.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -35.07 76.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.1 tp -79.18 -48.24 14.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -52.02 -50.55 61.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 t -62.04 -40.77 96.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.542 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.4 t60 -58.15 -40.38 81.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.458 ' O ' ' C ' ' A' ' 118' ' ' HIS . 41.5 mtp -76.28 -32.83 59.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.1 mt -76.13 -23.52 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.48 -55.09 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.542 HD12 ' CE1' ' A' ' 113' ' ' HIS . 6.5 mt -81.08 -51.36 8.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 114' ' ' MET . 68.9 m-70 -90.44 39.96 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.8 t -75.98 49.21 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 166.54 173.64 35.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -16.32 37.73 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 33.7 m -51.26 155.78 1.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.2 t -170.86 139.12 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.479 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -80.73 173.45 12.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.851 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 m -66.63 -58.99 4.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.75 166.72 23.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.0 m -83.61 174.38 10.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.379 . . . . 0.0 110.827 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -69.82 -58.21 4.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.07 -167.85 25.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.515 HG21 ' HB2' ' A' ' 23' ' ' LEU . 29.0 m -83.47 -177.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 111.125 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -147.73 137.29 22.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 14' ' ' HIS . 42.8 t -86.44 115.92 63.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.664 0.745 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 5.05 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -102.17 -52.12 3.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.9 p -120.52 10.06 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' CYS . 67.6 m-70 56.98 25.05 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.528 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 62.0 tttt -85.61 111.83 20.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -84.58 157.52 21.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.528 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 43.6 m-85 -137.76 -176.4 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 mp -69.94 -54.69 12.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 t -136.43 172.68 12.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.484 ' CD ' ' HG3' ' A' ' 24' ' ' LYS . 4.2 tmtp? -57.11 -50.41 72.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -38.82 -60.03 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -49.31 -43.62 43.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.515 ' HB2' HG21 ' A' ' 8' ' ' VAL . 44.0 tp -58.08 -61.25 2.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.484 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 36.3 mttm -43.04 -43.69 4.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.4 t -68.54 -33.99 62.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 4.3 t60 -76.55 -62.15 1.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.463 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -33.93 -44.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -45.14 -49.13 12.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -40.2 -43.5 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -54.62 -55.73 26.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.3 p -62.47 174.74 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.44 109.4 2.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.448 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -90.86 155.03 19.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -57.1 157.56 11.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.588 0.709 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.449 ' HB2' ' CD1' ' A' ' 36' ' ' PHE . 53.6 Cg_endo -69.75 -48.18 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 35' ' ' PRO . 70.8 m-85 -133.54 169.17 17.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 44' ' ' CYS . 36.4 tt0 -170.91 123.15 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.591 ' HA ' HD11 ' A' ' 51' ' ' LEU . 2.3 t -36.37 105.74 0.3 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.731 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 53.9 Cg_endo -69.74 2.1 3.83 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -99.37 -34.86 10.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.1 p -125.88 -43.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.56 21.56 3.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.579 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 3.1 tmtm? -80.96 106.23 12.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.747 0.308 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.48 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 11.5 p -63.24 165.53 7.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.579 ' CE2' ' HD2' ' A' ' 43' ' ' LYS . 6.0 m-85 -165.1 114.62 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -39.72 -48.36 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -112.44 157.64 20.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 49' ' ' GLU . 64.6 tttt -70.97 -54.23 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 48' ' ' LYS . 19.4 tt0 -34.54 -56.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -54.99 -51.47 66.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.591 HD11 ' HA ' ' A' ' 38' ' ' CYS . 6.6 tp -49.11 -52.22 27.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.9 mt -57.09 -41.4 78.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.58 -44.65 95.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.452 ' CE1' ' HA ' ' A' ' 59' ' ' CYS . 3.6 t60 -57.87 -37.49 74.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -60.17 -63.55 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.41 -51.14 67.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -54.16 -70.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 54' ' ' HIS . 29.9 t-20 -160.37 124.91 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.452 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 3.0 t -95.43 146.49 24.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 27.2 ttp -45.12 131.65 7.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -111.42 150.52 29.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -78.63 -47.89 16.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -83.43 55.08 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -136.38 117.09 13.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -45.56 104.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 77' ' ' ARG . 27.5 m -74.63 172.32 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.126 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 19.0 m-85 -125.51 158.55 34.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 73' ' ' GLN . 88.0 m -118.33 127.07 53.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.446 ' HA ' ' CD1' ' A' ' 82' ' ' LEU . 5.3 t -53.34 172.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.8 m -113.13 10.59 18.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.407 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 46.9 t -134.13 -44.56 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.2 p -117.14 -0.49 12.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.418 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 37.0 mm-40 57.91 34.97 24.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 2.5 tp10 -56.15 -173.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.9 p -128.55 122.86 32.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.554 ' CE1' HD13 ' A' ' 82' ' ' LEU . 11.6 m-85 -129.99 118.87 22.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.592 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -55.81 -27.99 53.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -127.24 160.87 29.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 13.1 ttp180 -68.23 -61.89 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 79' ' ' ARG . 4.4 tpt -37.53 -47.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -46.8 -51.6 16.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.554 HD13 ' CE1' ' A' ' 76' ' ' PHE . 18.6 tp -54.83 -34.99 63.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -66.93 -41.72 86.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.816 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 mt -73.01 -19.0 61.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -87.21 -38.14 16.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.429 ' HA ' ' HE3' ' A' ' 86' ' ' MET . 0.2 OUTLIER -50.17 -22.93 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.496 HG12 ' HG2' ' A' ' 93' ' ' MET . 2.5 m -57.49 -29.72 34.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.1 p -70.95 -13.51 62.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.407 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 86.5 m-70 -104.96 -23.56 12.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.0 p -95.12 -31.19 13.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.423 ' O ' ' HG3' ' A' ' 92' ' ' GLU . . . 113.35 -41.65 2.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.506 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 91' ' ' GLY . 1.3 mt-10 -165.2 149.67 8.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.496 ' HG2' HG12 ' A' ' 87' ' ' VAL . 34.3 mtp -69.6 153.63 95.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.597 0.713 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -38.95 7.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.262 . . . . 0.0 112.342 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -108.67 151.67 25.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.451 ' NZ ' ' O ' ' A' ' 93' ' ' MET . 4.3 mtmm -152.41 143.2 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -79.55 -174.55 4.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.3 m -126.11 -43.6 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -71.13 -42.65 68.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.529 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 31.2 p -111.61 -2.08 15.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.5 p 54.55 27.95 9.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.529 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 3.7 mm100 -60.75 -173.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.613 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 19.7 mt-30 -145.16 148.22 33.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.613 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.4 m-85 -148.03 165.65 30.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.496 ' HG2' ' CE ' ' A' ' 93' ' ' MET . 5.8 mmt -97.62 -28.39 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -122.41 159.3 27.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.417 ' HD3' ' CG ' ' A' ' 111' ' ' GLN . 0.1 OUTLIER -67.42 -57.95 5.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -48.43 -39.37 22.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -58.77 -29.98 67.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 16.7 tp -88.56 -44.07 10.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.417 ' CG ' ' HD3' ' A' ' 107' ' ' LYS . 25.8 mm-40 -54.5 -51.37 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -61.74 -38.8 89.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.56 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.8 t60 -60.72 -41.13 94.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 34.3 mtp -74.92 -23.41 58.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.6 mt -85.57 -23.1 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -96.21 -56.39 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 113' ' ' HIS . 4.3 mt -76.79 -51.82 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -90.69 34.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.6 t -61.78 -71.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.84 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 158.53 -142.58 8.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 102.76 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.25 . . . . 0.0 112.348 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.5 t -132.45 -177.66 4.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.814 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.1 m -141.94 177.39 8.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.52 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 p -169.22 128.41 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.2 p -89.5 173.16 8.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.49 -139.04 2.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -110.12 157.31 19.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.373 . . . . 0.0 110.883 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.3 p -132.88 128.56 36.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.11 173.11 32.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.8 m -73.08 174.35 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -144.17 142.52 30.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.2 t -91.25 115.69 64.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.67 0.748 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 6.36 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.447 HG21 ' CG ' ' A' ' 30' ' ' HIS . 6.2 m -102.24 -57.73 2.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.159 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 23.2 p -116.37 18.08 15.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 48.38 33.79 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.408 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 50.7 tttt -94.76 114.66 26.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -82.85 159.26 22.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -138.23 174.2 10.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.8 mt -73.86 -43.78 57.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.0 m -141.9 177.61 8.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HD3' ' N ' ' A' ' 20' ' ' LYS . 2.0 mppt? -66.53 -40.4 89.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -45.44 -64.55 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -51.27 -36.19 40.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.7 tp -67.57 -66.21 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.496 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 44.4 pttt -42.98 -36.87 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.496 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 72.1 t -74.73 -37.3 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -70.17 -51.2 33.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -43.93 -44.67 7.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -38.56 -53.34 1.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -41.61 -49.17 4.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.447 ' CG ' HG21 ' A' ' 12' ' ' THR . 33.8 m-70 -52.54 -56.09 17.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.8 t -80.43 129.3 34.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 155.12 -105.25 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -144.63 152.08 39.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.882 0.372 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -151.9 140.8 13.82 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.6 0.714 . . . . 0.0 110.85 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.417 ' HB2' ' CD2' ' A' ' 36' ' ' PHE . 53.9 Cg_endo -69.78 -38.89 7.13 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.637 2.225 . . . . 0.0 112.379 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.417 ' CD2' ' HB2' ' A' ' 35' ' ' PRO . 36.2 m-85 -143.15 179.43 7.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.833 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 29.8 tt0 -164.57 153.57 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.575 ' HA ' HD11 ' A' ' 51' ' ' LEU . 8.4 t -71.08 113.11 16.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.631 0.729 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 53.9 Cg_endo -69.74 0.68 5.28 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.625 2.216 . . . . 0.0 112.361 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -99.81 -42.56 6.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.0 p -116.58 -45.61 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.48 35.89 1.68 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.431 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 4.4 tmtt? -94.26 119.32 32.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.733 0.302 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.464 ' HB2' ' CB ' ' A' ' 34' ' ' LYS . 30.0 p -68.06 152.4 45.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -147.48 145.42 29.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -72.68 -41.21 65.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -112.37 148.99 33.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -70.65 -48.89 52.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -48.72 -53.53 18.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -51.26 -47.44 62.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.575 HD11 ' HA ' ' A' ' 38' ' ' CYS . 31.4 tp -56.01 -54.37 45.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.9 mt -49.08 -41.42 35.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.42 -62.09 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.416 ' CE1' ' O ' ' A' ' 58' ' ' ASN . 3.1 t60 -40.18 -46.32 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -44.69 -40.91 6.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.31 -44.17 8.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -53.26 -54.45 35.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.416 ' O ' ' CE1' ' A' ' 54' ' ' HIS . 8.8 t-20 -169.36 144.88 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.0 t -148.03 174.9 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.9 ttm -46.46 117.46 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -166.08 171.47 12.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.83 98.07 6.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.8 p -65.18 122.64 17.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -112.98 39.27 2.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -98.89 118.23 35.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.9 m -117.11 166.26 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.552 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 8.4 m-85 -112.98 149.8 32.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.4 m -114.83 130.4 56.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.144 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.453 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 4.5 t -60.14 174.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.7 t -116.33 -0.3 12.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.474 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 56.1 t -119.85 -48.97 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 27.1 p -113.46 -2.36 13.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.453 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 30.7 mm-40 59.9 36.18 21.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.607 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 1.5 tp10 -61.28 179.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.9 p -123.14 129.4 51.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.669 ' CE1' HD13 ' A' ' 82' ' ' LEU . 8.7 m-85 -134.38 117.47 16.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.836 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -52.66 -32.5 42.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.407 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 88.7 mtt180 -124.63 170.27 11.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.552 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 13.1 tpp180 -77.43 -59.67 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' ARG . 5.8 tpt -36.14 -53.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -45.28 -48.31 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.669 HD13 ' CE1' ' A' ' 76' ' ' PHE . 32.7 tp -56.58 -43.35 79.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -58.01 -42.14 84.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.407 ' O ' HG22 ' A' ' 87' ' ' VAL . 5.8 mt -75.06 -12.75 60.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.413 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 36.8 t60 -90.41 -44.58 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -49.75 -34.07 18.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.489 HG12 ' HG2' ' A' ' 93' ' ' MET . 3.8 m -50.8 -32.34 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -67.28 -28.02 67.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.474 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 58.7 m-70 -82.54 -51.04 8.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 91' ' ' GLY . 6.1 t -71.78 -45.32 61.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.455 ' N ' HG23 ' A' ' 90' ' ' THR . . . 136.55 -47.01 0.99 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 93' ' ' MET . 3.8 tt0 -162.31 160.59 26.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.489 ' HG2' HG12 ' A' ' 87' ' ' VAL . 5.0 mtt -73.28 148.08 88.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.59 0.71 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -43.75 2.44 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 86.3 m-85 -101.08 146.69 27.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -151.34 142.17 22.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -74.36 -175.36 2.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.7 m -122.86 -45.66 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.555 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.4 t -71.18 -48.26 52.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.505 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.0 p -102.45 -14.65 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 55.9 m 63.14 34.51 13.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.505 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.4 mm-40 -65.37 -175.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.506 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 31.0 mt-30 -140.7 146.69 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 11.0 m-85 -148.32 165.2 31.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.1 mmt -96.84 -29.16 13.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -117.85 160.31 21.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 37.3 tttm -73.18 -50.18 23.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -56.0 -33.51 64.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.473 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 4.5 t0 -61.26 -36.52 80.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 20.0 tp -77.13 -50.88 12.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -47.67 -51.04 23.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -62.72 -43.66 98.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.472 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.3 t60 -54.84 -39.44 68.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.48 ' O ' ' C ' ' A' ' 118' ' ' HIS . 40.9 mtp -78.02 -30.64 50.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.414 ' O ' ' HB3' ' A' ' 119' ' ' SER . 20.6 mt -75.0 -28.51 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.484 ' HE2' ' N ' ' A' ' 116' ' ' LYS . 0.3 OUTLIER -89.29 -57.01 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 117' ' ' LEU . 4.9 mt -78.32 -54.23 6.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.555 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 97.8 m-70 -87.42 35.42 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.79 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' ' 115' ' ' ILE . 94.9 p -61.46 86.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -81.41 136.49 16.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 106.33 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.656 2.238 . . . . 0.0 112.351 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.7 m -88.68 91.38 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.2 p -152.65 114.46 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.48 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -113.84 158.59 20.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.381 . . . . 0.0 110.819 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -126.3 158.72 35.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.96 66.79 0.23 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.427 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.5 t -112.83 -61.8 1.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -99.82 151.03 21.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.77 166.08 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.501 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.624 HG11 ' HG2' ' A' ' 20' ' ' LYS . 31.6 m -72.19 176.04 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.799 0.333 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -144.1 146.79 33.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.7 t -98.01 114.24 64.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 6.36 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.736 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.0 m -101.31 -55.3 2.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.9 p -119.23 15.51 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 52.56 30.37 8.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 45.7 tttt -92.03 117.03 29.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -87.75 157.19 19.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.44 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 68.5 m-85 -139.37 178.18 7.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -64.49 -55.84 18.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.8 m -141.45 165.71 26.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.624 ' HG2' HG11 ' A' ' 8' ' ' VAL . 22.3 mmtm -45.94 -56.77 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.462 ' C ' ' O ' ' A' ' 20' ' ' LYS . 4.3 t80 -32.38 -65.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -50.18 -48.69 53.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.438 ' HB2' HG21 ' A' ' 8' ' ' VAL . 19.2 tp -55.23 -58.26 8.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.417 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 50.9 mttm -43.15 -59.57 2.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.7 t -53.71 -35.16 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.154 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.533 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 4.1 t60 -71.1 -65.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.533 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -36.0 -45.67 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 27' ' ' ASN . 56.3 mtp85 -33.87 -45.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -45.63 -56.51 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.736 ' CG ' HG21 ' A' ' 12' ' ' THR . 89.6 m-70 -49.63 -48.7 48.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.3 t -141.69 133.47 27.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.96 38.9 1.62 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -101.93 145.25 29.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -169.43 124.45 0.71 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -50.75 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.328 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -136.0 142.92 44.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.401 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 30.5 tt0 -135.07 125.4 26.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 3.9 t -41.38 112.62 0.99 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 53.4 Cg_endo -69.81 -1.62 8.82 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -95.41 -47.29 6.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.8 p -110.91 -43.49 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.49 35.85 1.84 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.401 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 30.0 tptt -97.1 121.72 39.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.7 p -74.85 145.5 42.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -145.89 116.92 7.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -50.58 -49.9 55.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.33 146.73 24.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.455 ' HE3' HD23 ' A' ' 51' ' ' LEU . 33.9 tptt -71.13 -47.57 57.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -43.87 -60.14 1.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -47.89 -55.11 10.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.455 HD23 ' HE3' ' A' ' 48' ' ' LYS . 12.1 tp -47.07 -51.88 16.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.52 -51.97 67.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 57' ' ' ARG . 44.0 mt-10 -53.15 -38.46 62.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 59' ' ' CYS . 1.8 t60 -65.72 -42.43 91.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -54.29 -55.59 26.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.34 -50.11 29.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 53' ' ' GLU . 4.1 tmt_? -54.04 -64.59 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -164.88 132.04 3.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.423 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 8.1 t -111.12 129.52 55.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' CYS . 33.1 ttp -36.59 147.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -140.46 175.91 9.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -79.62 168.02 19.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.5 t -68.04 154.6 41.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 65' ' ' GLN . 3.0 mp0 -128.85 177.05 7.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 64' ' ' GLU . 12.7 tt0 -35.16 112.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.603 HG12 ' HA ' ' A' ' 77' ' ' ARG . 30.5 m -82.38 170.76 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 5.3 m-85 -116.38 175.38 5.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 93.4 m -141.47 124.04 15.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.45 ' SG ' ' CE ' ' A' ' 86' ' ' MET . 25.2 t -58.6 158.17 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.5 t -102.89 15.34 29.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.449 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 53.1 t -128.7 -45.88 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.1 p -117.66 -12.7 10.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 71.74 31.37 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.596 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -56.95 -174.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.6 p -128.38 128.27 44.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.737 ' CE1' HD13 ' A' ' 82' ' ' LEU . 8.7 m-85 -134.86 118.81 17.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.621 ' H ' ' NE ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -54.8 -31.46 59.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -125.88 169.93 12.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 4.8 ttp-105 -75.89 -60.47 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 79' ' ' ARG . 5.5 tpt -36.77 -52.73 0.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -45.56 -50.22 13.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.737 HD13 ' CE1' ' A' ' 76' ' ' PHE . 32.4 tp -55.79 -39.12 70.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -61.32 -43.7 98.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.412 ' O ' HG22 ' A' ' 87' ' ' VAL . 7.4 mt -71.5 -14.05 62.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.403 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 21.1 t60 -89.53 -44.72 9.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.45 ' CE ' ' SG ' ' A' ' 69' ' ' CYS . 0.2 OUTLIER -47.71 -33.95 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.439 HG12 ' CE ' ' A' ' 105' ' ' MET . 4.6 m -49.59 -32.28 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.8 t -67.13 -28.85 68.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.449 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 55.9 m-70 -84.08 -52.74 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.6 t -69.69 -40.59 76.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.93 -65.62 0.52 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -155.36 168.34 27.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.537 ' HG2' ' HE2' ' A' ' 105' ' ' MET . 8.8 mtp -80.29 150.91 71.75 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.556 0.694 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -45.79 1.47 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.704 2.27 . . . . 0.0 112.374 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.612 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 72.2 m-85 -93.08 148.47 21.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.405 ' NZ ' ' HB2' ' A' ' 96' ' ' LYS . 2.0 mtmp? -154.73 143.87 21.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.88 -177.85 6.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.8 p -121.38 -46.81 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -65.86 -51.78 55.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 30.0 p -98.5 -22.01 16.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.1 m 72.97 25.2 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -61.57 -174.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.601 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 32.4 mt-30 -140.43 154.84 46.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.601 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 5.1 m-85 -153.87 159.54 41.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.537 ' HE2' ' HG2' ' A' ' 93' ' ' MET . 5.6 mmt -95.71 -27.01 15.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.455 ' C ' ' CE2' ' A' ' 95' ' ' TYR . 12.8 mt-30 -114.33 165.37 12.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.612 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 1.5 ttmp? -80.21 -45.1 18.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -61.62 -31.75 71.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -61.85 -37.64 85.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.6 tp -77.45 -51.4 10.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.42 ' O ' HD12 ' A' ' 115' ' ' ILE . 26.6 mt-30 -49.38 -51.51 34.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 t -64.09 -36.75 85.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.595 ' CE1' HD12 ' A' ' 117' ' ' LEU . 2.6 t60 -62.44 -40.77 97.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 48.0 mtp -75.33 -26.5 58.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 111' ' ' GLN . 16.2 mt -81.14 -26.58 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -92.73 -58.53 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.595 HD12 ' CE1' ' A' ' 113' ' ' HIS . 6.4 mt -72.64 -50.11 27.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.922 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -97.84 37.29 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.1 t -38.84 -58.18 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 150.38 138.21 2.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 123.48 10.16 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.7 m -70.34 -46.11 64.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 89.1 p -113.02 155.68 24.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.112 -0.826 . . . . 0.0 112.469 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 m -106.96 -48.39 3.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -150.04 124.47 9.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.87 41.38 0.42 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 m -108.99 129.13 55.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -59.0 136.1 57.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.77 176.93 38.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.977 HG11 ' HD3' ' A' ' 20' ' ' LYS . 27.3 m -79.93 174.94 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 111.125 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -141.52 139.72 33.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 14' ' ' HIS . 43.5 t -86.92 115.56 62.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.658 0.742 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 4.98 1.86 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.423 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 2.0 m -101.25 -53.33 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.2 p -118.58 9.21 12.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 10' ' ' CYS . 72.9 m-70 59.69 25.07 13.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.405 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 31.5 tttt -85.89 120.48 27.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -95.15 157.06 16.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.915 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.405 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 17.1 m-85 -136.84 174.15 10.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.764 HD23 ' H ' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -74.51 -36.16 63.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 m -142.53 158.37 43.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.977 ' HD3' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -56.33 -49.59 73.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' LYS . 75.8 t80 -35.57 -54.74 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.646 ' HE2' HD11 ' A' ' 18' ' ' LEU . 9.8 m-85 -59.5 -43.46 93.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' HB2' HG21 ' A' ' 8' ' ' VAL . 33.1 tp -56.51 -43.31 79.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -60.46 -64.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 64.7 t -48.09 -35.66 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.52 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 3.1 t60 -70.85 -62.98 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.52 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -41.44 -52.81 3.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.51 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 50.8 mtt85 -34.38 -40.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -54.58 -50.3 68.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' ASN . 31.5 m-70 -42.83 -45.15 4.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 31' ' ' THR . 6.0 t -141.45 120.0 12.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.19 114.15 1.77 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.452 ' OE1' ' CZ ' ' A' ' 28' ' ' ARG . 35.3 tt0 -83.29 150.06 26.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 110.9 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.406 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.5 OUTLIER -64.16 132.17 95.23 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.57 0.7 . . . . 0.0 110.857 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.561 ' HG2' ' CD2' ' A' ' 36' ' ' PHE . 53.8 Cg_endo -69.79 2.2 3.76 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.705 2.27 . . . . 0.0 112.313 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 41.3 m-85 -145.2 157.52 44.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 40.2 tt0 -167.77 134.67 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 4.3 t -49.49 110.33 1.54 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.693 0.759 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 53.8 Cg_endo -69.69 0.83 5.02 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.754 2.302 . . . . 0.0 112.317 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -98.57 -40.28 8.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.7 p -119.74 -44.12 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.14 31.74 1.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.422 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 13.2 tptp -92.04 111.16 22.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.558 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 1.8 m -62.11 163.21 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 44' ' ' CYS . 9.9 m-85 -163.67 128.39 2.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -58.69 -54.97 41.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.05 129.06 51.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -54.66 -46.54 74.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -43.71 -46.07 7.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -65.01 -48.87 72.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.9 tp -51.72 -54.08 32.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.9 mt -46.4 -45.5 17.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -56.12 -58.64 7.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 55' ' ' GLU . 3.4 t60 -44.03 -53.45 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' HIS . 43.7 mt-10 -37.54 -44.82 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.01 -44.97 12.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -55.3 -62.43 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -151.24 158.9 44.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.5 t -174.59 111.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.1 ptp -49.47 156.53 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -85.05 135.03 34.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -43.57 122.26 2.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.5 p -173.46 134.65 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -103.06 99.71 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -78.47 108.27 11.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' ' 77' ' ' ARG . 27.6 m -115.97 167.51 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.447 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 9.8 m-85 -114.28 153.19 30.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 95.1 m -117.18 129.3 55.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.445 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.8 t -55.96 172.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.3 t -115.88 12.82 15.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.521 HG11 ' ND1' ' A' ' 89' ' ' HIS . 49.5 t -133.82 -44.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.0 p -117.15 -4.37 11.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 61.31 40.18 14.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -64.58 -174.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.6 p -127.72 126.98 42.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 14.9 m-85 -134.07 114.69 13.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.598 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -52.95 -22.03 5.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.2 mtt-85 -134.47 166.38 23.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 80' ' ' MET . 7.3 tpt180 -73.35 -64.18 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.46 ' C ' ' O ' ' A' ' 79' ' ' ARG . 2.7 tpt -33.22 -53.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -46.01 -48.04 16.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.548 HD13 ' CE1' ' A' ' 76' ' ' PHE . 19.6 tp -56.84 -39.39 74.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.403 ' CB ' ' HG3' ' A' ' 105' ' ' MET . 10.8 mmm180 -62.82 -45.83 90.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.9 mt -67.43 -20.92 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -85.41 -40.31 16.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -48.72 -21.77 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.1 m -55.07 -30.82 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.2 p -72.83 -13.63 61.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.521 ' ND1' HG11 ' A' ' 71' ' ' VAL . 82.3 m-70 -107.23 -32.77 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.6 p -82.62 -35.09 27.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.188 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 116.25 -33.66 5.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.455 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -174.54 143.8 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.484 ' CE ' ' HG2' ' A' ' 105' ' ' MET . 46.4 mtp -51.15 153.42 3.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.697 . . . . 0.0 110.837 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -47.82 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 89.6 m-85 -91.73 147.04 23.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -152.63 143.16 22.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.927 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.5 t -78.93 -175.5 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.6 t -126.27 -42.73 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 m -71.76 -40.05 69.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.518 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 30.2 p -113.01 -11.51 13.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 p 64.71 25.3 13.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.518 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.2 mm100 -59.56 -174.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.611 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 21.6 mt-30 -142.87 152.78 42.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 8.3 m-85 -152.43 164.75 36.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.484 ' HG2' ' CE ' ' A' ' 93' ' ' MET . 6.1 mmt -99.67 -26.22 14.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -120.79 154.38 35.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 29.7 tttm -68.49 -51.1 46.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -57.34 -26.62 61.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.0 -30.19 66.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 18.1 tp -83.34 -45.28 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -53.92 -52.31 60.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -59.44 -41.42 89.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.506 ' CE1' HD12 ' A' ' 117' ' ' LEU . 5.1 t60 -58.03 -39.01 77.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 35.5 mtp -78.09 -22.45 48.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 17.9 mt -84.29 -26.1 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.1 -56.32 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.509 HD23 ' N ' ' A' ' 117' ' ' LEU . 4.5 mt -78.9 -52.92 7.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 119' ' ' SER . 77.0 m-70 -88.95 32.83 0.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 118' ' ' HIS . 32.2 t -34.97 -54.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -136.06 146.21 18.19 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -0.57 7.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 2.254 . . . . 0.0 112.355 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 98.9 p -67.59 127.24 32.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.7 t -165.23 146.37 7.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.132 -0.816 . . . . 0.0 112.523 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 m -105.53 119.24 38.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 0.0 110.864 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -125.32 98.57 5.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.87 84.17 0.59 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.455 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -144.75 140.56 28.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.368 . . . . 0.0 110.833 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 m -159.32 178.35 10.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.52 -167.79 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 20' ' ' LYS . 35.4 m -73.0 168.13 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 0.0 111.157 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -138.1 145.05 41.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.401 ' C ' ' H ' ' A' ' 12' ' ' THR . 34.9 t -95.67 113.49 62.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.632 0.73 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 10.59 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.384 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.586 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.1 m -104.89 -58.73 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 27.8 p -115.57 10.5 15.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 58.55 30.23 19.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.406 ' HB2' ' NZ ' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -92.89 113.17 25.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -84.24 160.17 20.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -139.7 158.41 44.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.698 HD23 ' H ' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -67.93 -39.65 83.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.0 t -136.85 158.76 43.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' LEU . 1.8 mppt? -58.57 -49.38 77.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' LYS . 19.5 t80 -35.94 -56.07 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.698 ' HE2' HD11 ' A' ' 18' ' ' LEU . 11.7 m-85 -59.22 -36.28 75.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 20' ' ' LYS . 53.4 tp -66.16 -60.91 2.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.938 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -48.15 -36.01 12.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.811 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.471 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 53.9 t -75.07 -38.59 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -68.93 -54.21 16.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -48.11 -43.14 30.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 27' ' ' ASN . 27.1 mtp85 -36.98 -40.44 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -60.35 -44.97 95.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.586 ' CG ' HG21 ' A' ' 12' ' ' THR . 14.1 m-70 -55.74 -75.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.2 t -49.17 146.92 3.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.12 -166.37 32.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -99.07 134.23 42.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -172.84 122.99 0.44 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.58 0.705 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -49.67 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.649 2.233 . . . . 0.0 112.37 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -133.26 161.9 33.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -155.74 131.19 9.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 t -54.98 112.69 4.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.59 4.33 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -98.88 -44.38 6.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.5 p -114.41 -42.83 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.66 38.02 2.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.4 ' HD2' ' CZ ' ' A' ' 45' ' ' TYR . 3.7 tmtt? -100.21 114.04 27.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.9 p -60.41 155.17 18.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.4 ' CZ ' ' HD2' ' A' ' 43' ' ' LYS . 15.7 m-85 -154.45 115.17 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -41.15 -57.28 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 2.6 mmp_? -107.69 149.11 28.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 49' ' ' GLU . 12.0 ttpp -69.31 -44.67 71.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 48' ' ' LYS . 13.7 mt-10 -33.97 -55.5 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -61.49 -44.79 96.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 48' ' ' LYS . 17.9 tp -53.64 -44.71 69.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.1 mt -57.77 -45.38 86.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 54' ' ' HIS . 59.5 mt-10 -64.73 -65.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.515 ' CE1' ' HA ' ' A' ' 59' ' ' CYS . 1.7 t60 -36.13 -38.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.07 -49.75 76.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 53' ' ' GLU . . . -80.99 -50.58 9.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.092 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.454 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 25.7 mmt180 -53.63 -64.17 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 70.8 m-80 -165.03 121.8 1.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.515 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 10.5 t -94.66 -62.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.1 mmt -71.42 -53.8 12.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -62.38 175.65 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 62.87 41.06 9.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.2 p -80.85 177.16 9.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -49.16 121.39 4.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -91.69 105.24 17.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.637 HG12 ' HA ' ' A' ' 77' ' ' ARG . 28.5 m -82.2 171.1 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 9.3 m-85 -118.49 156.09 29.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 89.9 m -119.32 129.35 54.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.433 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.5 t -57.02 173.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.9 t -115.61 4.65 14.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.46 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 88.0 t -125.16 -48.69 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.444 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.0 p -113.1 -3.27 13.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 60.89 37.06 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 2.5 tp10 -61.14 -176.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.5 p -126.82 125.55 41.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.785 ' CE1' HD13 ' A' ' 82' ' ' LEU . 8.4 m-85 -131.41 115.56 16.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.637 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -48.75 -34.82 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.443 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 21.2 mtp180 -124.12 171.4 9.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.562 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 17.0 tpt180 -76.59 -60.81 2.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 79' ' ' ARG . 4.0 tpt -36.39 -48.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -48.53 -51.36 27.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.785 HD13 ' CE1' ' A' ' 76' ' ' PHE . 37.2 tp -53.87 -40.34 66.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -60.59 -43.85 96.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.3 mt -71.91 -12.5 61.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.404 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 25.9 t60 -92.57 -43.65 9.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -48.09 -33.36 8.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.437 HG12 ' HG2' ' A' ' 93' ' ' MET . 3.7 m -49.97 -33.64 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.1 p -65.88 -27.73 68.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.46 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 65.5 m-70 -84.58 -55.15 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 91' ' ' GLY . 6.6 t -65.46 -42.65 92.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.416 ' N ' HG23 ' A' ' 90' ' ' THR . . . 134.08 -45.64 1.1 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.534 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -167.48 162.37 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.437 ' HG2' HG12 ' A' ' 87' ' ' VAL . 5.3 mtp -73.74 148.24 87.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.571 0.701 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -46.31 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.683 2.255 . . . . 0.0 112.378 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -91.33 153.42 19.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -156.33 142.92 18.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.0 -174.95 4.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 m -124.28 -45.02 1.98 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.556 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.0 OUTLIER -70.61 -50.76 33.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.517 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.2 p -101.86 -13.14 17.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.4 m 64.46 31.88 12.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.517 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 3.5 mm-40 -61.27 -173.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.499 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 32.7 mt-30 -143.09 142.02 31.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.69 ' CE1' HD13 ' A' ' 110' ' ' LEU . 1.4 m-85 -144.19 167.13 23.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.5 mmt -107.13 -23.89 12.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -125.75 154.0 43.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -56.55 -67.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -42.58 -41.59 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -54.41 -38.33 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.69 HD13 ' CE1' ' A' ' 104' ' ' PHE . 21.4 tp -86.8 -55.49 3.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -47.68 -48.45 29.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.402 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 1.4 t -63.87 -39.91 95.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.544 ' CE1' HD12 ' A' ' 117' ' ' LEU . 3.6 t60 -59.88 -40.19 87.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.821 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 118' ' ' HIS . 47.7 mtp -76.09 -27.7 57.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.2 mt -80.1 -27.05 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.402 ' CD ' ' O ' ' A' ' 112' ' ' SER . 1.2 mptm? -88.61 -57.1 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.544 HD12 ' CE1' ' A' ' 113' ' ' HIS . 6.4 mt -80.18 -55.34 5.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.556 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 87.1 m-70 -84.59 27.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.0 t -39.57 -53.22 2.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 153.35 -155.62 26.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.555 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -41.39 4.26 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.0 m -48.43 119.63 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 54.3 p 45.69 41.96 7.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.82 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.478 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -113.49 103.75 11.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 m -114.37 82.51 1.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.11 77.04 0.28 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.538 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -103.61 -50.78 3.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.867 0.365 . . . . 0.0 110.831 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -107.64 150.98 26.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.28 171.08 12.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.51 HG11 ' HD3' ' A' ' 20' ' ' LYS . 35.1 m -83.18 174.14 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' CD ' ' HE2' ' A' ' 16' ' ' LYS . 16.7 tt0 -146.86 141.24 26.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.405 ' C ' ' H ' ' A' ' 12' ' ' THR . 32.2 t -89.8 113.18 55.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 9.86 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.57 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.1 m -105.21 -60.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 27.0 p -112.23 12.2 20.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 57.01 29.18 15.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.488 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 14.6 ttmt -90.41 114.27 26.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HE2' ' CD ' ' A' ' 9' ' ' GLU . 26.7 mttt -91.59 157.93 16.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.488 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 29.7 m-85 -135.98 -179.89 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.728 HD23 ' H ' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -84.28 -38.18 20.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -136.95 175.06 9.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.51 ' HD3' HG11 ' A' ' 8' ' ' VAL . 9.4 mmtp -69.58 -50.98 39.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.443 ' O ' HG23 ' A' ' 25' ' ' VAL . 20.3 t80 -36.03 -56.69 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.648 ' HE2' HD11 ' A' ' 18' ' ' LEU . 13.0 m-85 -56.48 -38.37 71.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 20' ' ' LYS . 60.2 tp -67.59 -61.91 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -45.46 -41.89 9.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 21' ' ' TYR . 92.4 t -69.53 -40.02 79.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.524 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 3.6 t60 -72.33 -64.08 1.02 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.524 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -33.83 -51.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.5 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 37.3 mtt-85 -33.92 -47.75 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -38.81 -54.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.57 ' CG ' HG21 ' A' ' 12' ' ' THR . 87.1 m-70 -57.25 -56.79 17.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.3 p -65.02 122.08 16.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.144 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -111.5 57.16 0.44 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.7 -7.97 56.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.923 0.392 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -135.45 147.04 60.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.715 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.44 ' HB2' ' CD2' ' A' ' 36' ' ' PHE . 53.4 Cg_endo -69.74 -47.73 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.668 2.246 . . . . 0.0 112.332 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.44 ' CD2' ' HB2' ' A' ' 35' ' ' PRO . 61.2 m-85 -142.73 144.74 32.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 8.7 tt0 -148.55 138.94 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 t -54.91 108.06 1.05 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.62 0.724 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 2.73 3.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -99.8 -34.57 10.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.449 ' CB ' ' HG2' ' A' ' 60' ' ' MET . 31.6 p -128.99 -46.4 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.29 49.3 0.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.44 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 37' ' ' GLU . 16.5 tppt? -104.21 121.83 44.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.536 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 26.7 p -72.3 155.61 40.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.536 ' CG ' ' O ' ' A' ' 44' ' ' CYS . 5.8 m-85 -174.97 110.49 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.953 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.42 -41.63 89.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -86.09 123.3 31.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -52.65 63.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -49.61 -56.38 10.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -46.14 -47.44 17.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.8 tp -61.4 -46.7 89.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.3 mt -55.97 -44.83 78.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.99 -53.09 62.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.487 ' CE1' ' O ' ' A' ' 58' ' ' ASN . 1.2 t60 -46.76 -54.15 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.462 ' N ' ' CD2' ' A' ' 54' ' ' HIS . 6.9 mt-10 -34.57 -41.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.09 -44.31 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -54.48 -63.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.487 ' O ' ' CE1' ' A' ' 54' ' ' HIS . 11.3 m120 -147.34 141.92 26.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.0 t -174.48 161.34 3.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.449 ' HG2' ' CB ' ' A' ' 41' ' ' CYS . 16.1 mmt -41.48 103.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -134.04 -52.91 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -124.06 -53.86 1.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.0 t -84.76 162.89 19.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.462 ' O ' ' C ' ' A' ' 65' ' ' GLN . 58.4 mt-10 -150.23 174.13 13.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.462 ' C ' ' O ' ' A' ' 64' ' ' GLU . 14.8 tt0 -32.85 105.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 64' ' ' GLU . 28.0 m -95.8 160.06 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.442 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 1.8 m-85 -107.33 169.47 8.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.1 m -133.77 129.53 36.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.4 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 5.1 t -62.43 170.05 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.4 t -112.73 5.24 17.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.484 HG11 ' ND1' ' A' ' 89' ' ' HIS . 92.6 t -124.29 -48.8 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.0 p -113.19 -3.22 13.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 60.07 37.15 21.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.597 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 3.0 tp10 -58.89 -179.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.4 p -127.39 122.82 34.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.702 ' CE1' HD13 ' A' ' 82' ' ' LEU . 10.5 m-85 -126.31 175.81 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.08 -27.78 6.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -119.56 158.61 25.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.766 HH21 HD23 ' A' ' 82' ' ' LEU . 1.9 tpm_? -70.98 -47.88 56.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.2 tpt -55.7 -46.49 77.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -45.98 -54.74 7.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.766 HD23 HH21 ' A' ' 79' ' ' ARG . 14.2 tp -51.4 -42.28 61.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.435 ' HD3' ' NH1' ' A' ' 79' ' ' ARG . 12.3 mmm180 -60.19 -41.37 92.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.4 mt -72.21 -14.37 61.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -91.93 -42.78 9.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -49.8 -32.86 14.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.536 HG12 ' HG2' ' A' ' 93' ' ' MET . 3.2 m -51.05 -31.81 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.0 p -66.78 -28.05 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.484 ' ND1' HG11 ' A' ' 71' ' ' VAL . 73.6 m-70 -84.85 -54.39 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.2 t -65.64 -41.2 92.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 128.54 -40.52 1.7 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -171.54 147.91 2.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.536 ' HG2' HG12 ' A' ' 87' ' ' VAL . 3.6 mtt -57.73 150.64 46.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -30.31 22.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.342 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.456 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 85.2 m-85 -115.5 152.74 32.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.9 mtmm -154.18 145.84 23.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -81.62 -176.5 6.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.0 p -123.45 -44.18 2.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.6 m -70.97 -47.4 59.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.517 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 20.8 p -103.5 -19.27 14.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.2 m 69.47 31.76 3.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.517 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 5.0 mm100 -65.71 -175.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.429 ' HB3' ' CG ' ' A' ' 93' ' ' MET . 31.6 mt-30 -141.59 146.69 36.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 18.0 m-85 -147.33 163.48 36.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.46 ' HE2' ' HG2' ' A' ' 93' ' ' MET . 7.5 mmt -96.97 -28.08 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -118.09 152.37 35.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.456 ' HG3' ' CE1' ' A' ' 95' ' ' TYR . 6.2 ttpp -64.11 -54.64 30.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 6.2 pttm -51.43 -39.02 56.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.481 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 7.9 t0 -55.32 -36.94 66.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 26.6 tp -78.09 -51.61 10.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -49.01 -50.8 34.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 t -62.76 -40.7 98.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.513 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.2 t60 -59.51 -40.74 88.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 44.5 mtp -76.73 -25.9 54.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 21.0 mt -82.45 -23.17 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -93.34 -57.21 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.513 HD12 ' CE1' ' A' ' 113' ' ' HIS . 6.3 mt -77.8 -53.74 7.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.404 ' O ' ' N ' ' A' ' 120' ' ' GLY . 71.7 m-70 -88.46 37.52 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.2 t -57.97 85.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 118' ' ' HIS . . . 81.05 157.73 17.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.451 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -33.77 15.89 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.715 2.276 . . . . 0.0 112.301 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.9 m -163.71 117.68 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.1 m -82.79 105.59 13.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.491 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 m -77.97 119.92 22.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 110.826 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.8 m -146.01 152.86 40.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.52 42.12 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 m -121.91 93.84 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.2 p -61.94 148.28 44.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.38 171.38 28.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.684 ' HB ' HD22 ' A' ' 23' ' ' LEU . 34.8 m -84.9 166.7 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 111.154 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -145.41 143.91 30.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.462 ' C ' ' H ' ' A' ' 12' ' ' THR . 24.3 t -88.2 115.67 63.89 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 53.4 Cg_endo -69.78 19.56 0.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.703 HG21 ' CG ' ' A' ' 30' ' ' HIS . 6.6 m -118.25 -59.73 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.0 p -111.09 13.67 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 49.76 43.38 24.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.506 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 28.6 tttm -100.49 108.56 20.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -82.22 152.52 26.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.506 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 57.0 m-85 -133.04 -176.68 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.665 HD23 ' H ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -92.37 -39.62 11.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 t -130.9 144.47 51.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -52.08 -42.36 63.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.617 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.7 t80 -45.76 -34.97 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.478 ' HE2' HD11 ' A' ' 18' ' ' LEU . 7.5 m-85 -74.58 -34.83 62.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.684 HD22 ' HB ' ' A' ' 8' ' ' VAL . 43.2 tp -65.58 -54.8 22.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -55.26 -44.93 76.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 21' ' ' TYR . 89.0 t -66.86 -37.9 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.131 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -69.35 -42.37 75.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.476 ' ND2' ' HB ' ' A' ' 31' ' ' THR . 4.6 t30 -49.16 -25.24 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 27' ' ' ASN . 34.6 mtp180 -34.36 -38.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 27' ' ' ASN . 2.7 mmmp? -62.26 -59.57 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.703 ' CG ' HG21 ' A' ' 12' ' ' THR . 13.9 m-70 -76.09 -71.33 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.502 ' C ' ' O ' ' A' ' 30' ' ' HIS . 5.2 t 29.48 54.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.183 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.2 102.19 0.16 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -60.31 152.32 25.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.389 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.544 ' HE2' ' CE2' ' A' ' 46' ' ' PHE . 16.9 mmtp -125.73 150.03 67.26 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 110.927 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -47.98 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -135.42 163.62 29.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.426 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 31.9 tt0 -164.74 128.55 2.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.461 ' HA ' HD11 ' A' ' 51' ' ' LEU . 2.0 t -40.09 108.33 0.51 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.663 0.744 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 2.82 3.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.373 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.67 -41.76 6.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.4 ' HB2' ' SD ' ' A' ' 60' ' ' MET . 29.0 p -116.71 -42.38 2.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.09 35.15 1.69 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.426 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 21.2 tptp -95.37 113.86 25.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.737 0.303 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 71.6 m -77.12 150.52 35.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -160.06 108.18 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.544 ' CE2' ' HE2' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -42.46 -50.93 5.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -83.81 122.72 29.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -55.18 -44.08 74.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -49.82 -59.65 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -45.96 -46.24 16.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.461 HD11 ' HA ' ' A' ' 38' ' ' CYS . 21.1 tp -60.41 -54.17 48.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.3 mt -52.8 -52.7 55.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -48.4 -58.92 3.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.467 ' CD2' ' N ' ' A' ' 55' ' ' GLU . 2.3 t60 -47.1 -58.2 4.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.81 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.467 ' N ' ' CD2' ' A' ' 54' ' ' HIS . 13.2 mt-10 -33.73 -44.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.09 -45.76 11.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -54.4 -61.51 2.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -157.14 159.86 38.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 t -167.51 167.89 13.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.4 ' SD ' ' HB2' ' A' ' 41' ' ' CYS . 57.7 mtp -80.16 132.62 35.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -123.98 -48.08 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -61.73 129.05 39.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.3 t -135.64 109.75 8.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -115.66 131.28 56.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -74.15 103.32 4.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 77' ' ' ARG . 31.9 m -95.33 168.15 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.539 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 9.2 m-85 -117.95 147.92 42.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 94.5 m -112.72 130.44 56.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.467 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 5.9 t -58.01 171.72 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.7 t -111.59 -0.95 15.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.475 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 90.8 t -118.35 -50.17 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.8 p -111.91 -4.3 14.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.467 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 57.6 mm-40 61.75 33.69 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.595 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.8 tp10 -56.85 -176.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.1 p -126.36 126.63 44.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.692 ' CE1' HD13 ' A' ' 82' ' ' LEU . 9.5 m-85 -133.4 114.16 13.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.564 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -49.06 -33.55 11.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.437 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 35.8 mtt180 -124.36 169.25 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.539 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 2.6 tpp85 -75.41 -61.22 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' ARG . 3.8 tpt -35.58 -48.68 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -48.34 -52.08 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.692 HD13 ' CE1' ' A' ' 76' ' ' PHE . 42.5 tp -53.94 -39.81 66.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.3 mmm-85 -60.97 -42.89 99.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mt -73.48 -12.62 60.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.407 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 22.1 t60 -92.8 -43.19 9.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -48.7 -33.57 10.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 93' ' ' MET . 6.6 m -49.09 -34.27 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.9 p -65.44 -28.87 69.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.475 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 60.5 m-70 -83.83 -54.65 4.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.9 t -66.69 -41.31 88.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 131.24 -42.85 1.35 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -173.01 149.38 1.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.348 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.47 ' HG2' ' CG1' ' A' ' 87' ' ' VAL . 9.3 mtp -56.47 152.88 22.54 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.566 0.698 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -48.73 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.311 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.457 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 90.1 m-85 -90.39 150.9 21.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -154.32 144.4 21.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -76.01 -176.33 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.4 m -122.48 -46.54 2.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -68.01 -47.74 67.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.844 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.487 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.0 p -103.42 -22.52 13.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 t 73.81 31.57 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.487 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.7 mm100 -60.56 -174.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.52 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 33.8 mt-30 -140.93 142.72 34.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.4 m-85 -148.9 157.78 43.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.8 mmt -94.01 -27.84 16.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -116.1 149.59 38.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.457 ' HG3' ' CE1' ' A' ' 95' ' ' TYR . 1.7 ttpm? -63.78 -54.93 27.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -51.44 -36.83 45.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.434 ' N ' ' HG2' ' A' ' 108' ' ' LYS . 1.9 t70 -58.2 -37.25 74.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.4 tp -77.03 -51.21 11.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -48.23 -50.15 30.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.69 -41.06 98.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.528 ' CE1' HD12 ' A' ' 117' ' ' LEU . 5.2 t60 -59.26 -38.86 81.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.47 ' O ' ' C ' ' A' ' 118' ' ' HIS . 34.1 mtp -78.93 -29.26 44.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 21.2 mt -77.43 -29.83 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.02 -58.44 2.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.528 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.6 mt -77.28 -55.88 5.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.47 ' C ' ' O ' ' A' ' 114' ' ' MET . 92.0 m-70 -87.37 35.33 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.4 t -45.77 -52.81 10.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' A' ' 122' ' ' SER . . . -147.14 -142.01 3.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.449 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 12.49 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 120' ' ' GLY . 9.1 t -77.49 178.75 6.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 55.2 m 64.78 44.73 3.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.107 -0.83 . . . . 0.0 112.456 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 1' ' ' GLY . 94.9 p 35.89 41.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.844 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 p -127.69 150.25 49.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.83 -85.36 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t 66.97 39.87 3.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.895 0.378 . . . . 0.0 110.818 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.8 p -133.04 161.78 33.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.36 -165.31 11.07 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.438 HG11 ' HG2' ' A' ' 20' ' ' LYS . 15.6 m -88.84 172.35 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.117 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.408 ' CB ' ' HG2' ' A' ' 16' ' ' LYS . 13.6 tt0 -143.97 144.03 31.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.2 t -92.94 112.07 54.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.671 0.748 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 6.79 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.649 2.233 . . . . 0.0 112.401 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.434 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 3.4 m -100.16 -58.78 1.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.2 p -115.82 11.96 15.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 59.24 27.19 16.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.516 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 71.5 tttt -88.37 111.06 21.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HG2' ' CB ' ' A' ' 9' ' ' GLU . 32.0 mtmt -90.61 157.67 17.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.516 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 32.8 m-85 -135.65 -176.53 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.693 HD23 ' H ' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -85.2 -39.95 17.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.9 t -135.16 171.44 14.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' LEU . 19.5 mmtt -67.48 -53.19 30.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.604 ' O ' HG23 ' A' ' 25' ' ' VAL . 75.3 t80 -37.69 -52.53 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.66 ' HE2' HD11 ' A' ' 18' ' ' LEU . 7.3 m-85 -57.72 -37.84 74.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 26' ' ' HIS . 12.6 tp -67.19 -64.46 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 8.8 pttp -43.37 -39.37 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 21' ' ' TYR . 98.3 t -68.96 -30.92 48.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' LEU . 4.8 t60 -82.25 -36.96 26.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 30' ' ' HIS . 9.5 t30 -57.75 -55.42 35.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 27' ' ' ASN . 19.2 ptt180 -34.31 -39.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -56.23 -48.71 75.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 27' ' ' ASN . 30.8 m-70 -49.87 -55.59 13.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.3 p -63.73 127.59 32.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.7 138.3 29.63 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -116.15 151.75 35.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.866 0.365 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.602 ' HE3' ' CE2' ' A' ' 46' ' ' PHE . 30.9 mttp -53.0 152.69 7.01 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.561 0.696 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -17.06 37.72 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.619 2.213 . . . . 0.0 112.386 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -140.08 154.74 47.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.424 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 35.3 tt0 -167.0 140.84 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.2 t -58.56 109.6 1.97 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.638 0.732 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 2.51 3.47 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.631 2.22 . . . . 0.0 112.338 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -100.98 -38.14 8.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.2 p -122.49 -44.59 2.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.63 31.89 1.71 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.424 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 1.2 tptm -86.19 105.93 16.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.745 0.307 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.9 p -71.88 147.95 46.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.505 ' N ' ' HD2' ' A' ' 34' ' ' LYS . 13.1 m-85 -157.88 127.11 5.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.602 ' CE2' ' HE3' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -52.06 -56.6 13.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.57 131.12 35.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -66.37 -36.8 83.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -62.26 -54.51 39.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -44.16 -52.29 7.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.2 tp -55.88 -54.04 49.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.4 mt -43.72 -43.1 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.6 -62.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -39.99 -49.3 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -43.33 -43.09 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.71 -46.02 10.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -53.97 -60.66 3.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -158.73 152.49 23.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.8 t -158.75 164.47 35.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 63.9 mtm -94.01 117.85 30.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -146.8 109.59 4.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -147.93 171.92 15.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.1 t -49.97 99.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.802 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -93.71 80.87 4.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -119.11 113.89 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 77' ' ' ARG . 28.9 m -117.14 167.87 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.535 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 11.5 m-85 -114.82 153.2 30.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 89.0 m -117.1 129.67 56.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.435 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.7 t -56.25 173.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.8 t -114.74 4.75 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.452 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 97.6 t -126.5 -47.95 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.4 p -113.91 -0.95 13.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.425 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 50.5 mm-40 57.58 37.18 27.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.599 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.4 tp10 -60.34 -175.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.9 p -126.09 127.0 45.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.599 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 16.1 m-85 -133.9 119.3 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.431 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -52.6 -32.6 42.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.833 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -126.47 170.29 12.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.535 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 6.8 tpt180 -76.37 -60.26 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 79' ' ' ARG . 2.5 tpt -36.4 -49.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -49.77 -47.97 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.48 HD13 ' CE1' ' A' ' 76' ' ' PHE . 19.1 tp -57.31 -38.25 73.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 83' ' ' ARG . 10.8 mmm180 -62.25 -44.19 97.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.0 mt -71.48 -14.8 62.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -88.67 -41.96 12.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.41 -27.16 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.458 HG12 ' CE ' ' A' ' 105' ' ' MET . 4.8 m -53.41 -34.05 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.3 t -65.55 -29.96 70.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.452 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 71.1 m-70 -84.25 -55.2 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 91' ' ' GLY . 7.5 t -68.28 -42.01 80.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.413 ' N ' HG23 ' A' ' 90' ' ' THR . . . 141.83 -68.54 0.46 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.453 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -151.21 170.25 19.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.489 ' CE ' ' HG2' ' A' ' 105' ' ' MET . 40.0 mtp -76.53 151.75 83.05 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -47.9 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.283 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 86.1 m-85 -91.06 149.43 21.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -152.89 145.36 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.05 -176.94 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.8 t -123.39 -45.66 2.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.6 m -67.92 -47.94 67.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.524 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 20.0 p -104.25 -16.89 15.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.8 m 67.91 31.95 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.524 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.3 mm-40 -64.44 -173.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.513 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 30.1 mt-30 -142.29 145.3 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 6.0 m-85 -148.18 161.39 41.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.489 ' HG2' ' CE ' ' A' ' 93' ' ' MET . 4.7 mmt -96.54 -26.46 15.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -116.76 159.98 21.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 69.2 tttt -74.82 -49.92 18.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 11.3 ptpt -56.9 -36.94 70.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.456 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 3.0 t70 -58.8 -36.09 73.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 24.3 tp -76.71 -51.79 10.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -48.1 -50.6 27.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.454 ' HA ' HD12 ' A' ' 115' ' ' ILE . 3.3 t -61.76 -43.67 98.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.509 ' CE1' HD12 ' A' ' 117' ' ' LEU . 3.6 t60 -58.32 -37.91 76.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.46 ' O ' ' C ' ' A' ' 118' ' ' HIS . 42.7 mtp -78.95 -24.92 43.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 112' ' ' SER . 19.3 mt -79.43 -30.99 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 112' ' ' SER . 2.2 mptt -86.82 -59.38 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.509 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.0 mt -74.56 -54.89 6.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.46 ' C ' ' O ' ' A' ' 114' ' ' MET . 74.6 m-70 -90.11 35.84 0.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.1 p -49.21 -47.33 46.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 110.43 149.38 12.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 176.81 6.25 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.747 2.298 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 60.3 p -153.68 162.79 40.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 26.1 p -109.2 -47.79 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.456 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m -98.56 92.76 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 110.885 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 t -170.64 139.59 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.922 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.5 132.8 6.99 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -98.47 111.48 23.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 t -92.93 117.73 30.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.45 -168.92 31.24 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.47 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.599 HG21 ' HB2' ' A' ' 23' ' ' LEU . 34.1 m -97.15 175.12 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -145.73 137.76 25.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.9 t -88.8 114.71 61.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.632 0.729 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 5.15 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.331 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.455 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.9 m -100.67 -58.5 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.151 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.2 p -115.21 14.85 17.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 53.04 27.86 6.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -89.85 109.46 20.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -85.15 159.15 20.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 26' ' ' HIS . 60.0 m-85 -137.42 176.47 8.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mp -69.88 -42.17 73.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.1 t -146.01 172.99 12.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.569 ' CD ' HG11 ' A' ' 8' ' ' VAL . 19.6 mmmt -60.1 -45.32 93.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.4 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 75.3 t80 -39.96 -52.22 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -63.84 -30.23 71.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.951 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.599 ' HB2' HG21 ' A' ' 8' ' ' VAL . 45.8 tp -71.15 -59.99 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 17.4 ptpt -48.49 -40.16 25.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.441 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 91.1 t -72.19 -38.16 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' ASN . 5.0 t60 -72.41 -62.84 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -35.11 -42.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.9 mtt-85 -39.13 -48.5 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -43.96 -49.88 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.455 ' CG ' HG21 ' A' ' 12' ' ' THR . 71.6 m-70 -56.47 -62.78 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.2 p -52.86 107.19 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.24 159.99 25.23 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -108.2 172.92 6.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.935 0.398 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 2.8 ptpp? -121.11 99.82 46.13 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.542 0.687 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 34' ' ' LYS . 54.1 Cg_endo -69.74 -48.34 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -125.4 145.96 49.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 25.0 tt0 -151.52 127.85 10.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.5 t -45.15 110.42 1.09 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.65 0.738 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 1.73 4.16 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.744 2.296 . . . . 0.0 112.365 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -100.69 -47.02 4.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.492 ' CB ' ' HB2' ' A' ' 60' ' ' MET . 27.9 p -110.18 -43.07 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.25 44.31 1.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.517 ' HE2' ' N ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -103.82 101.97 11.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.3 . . . . 0.0 110.859 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.517 ' N ' ' HE2' ' A' ' 43' ' ' LYS . 26.3 p -49.54 171.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.486 ' CD2' ' O ' ' A' ' 44' ' ' CYS . 9.9 m-85 -173.49 126.8 0.41 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -55.0 -47.0 75.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -109.15 152.78 24.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -75.55 -44.13 45.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -48.58 -56.17 9.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -49.91 -47.97 51.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.4 tp -52.19 -46.21 65.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.472 HD23 ' OE2' ' A' ' 55' ' ' GLU . 88.4 mt -53.81 -50.22 66.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -50.43 -44.88 55.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.489 ' CD2' ' C ' ' A' ' 54' ' ' HIS . 0.8 OUTLIER -62.92 -49.53 74.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.472 ' OE2' HD23 ' A' ' 52' ' ' LEU . 43.5 mt-10 -39.54 -43.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.05 -43.86 11.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -65.24 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -153.51 157.42 39.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 t -163.83 163.12 23.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.492 ' HB2' ' CB ' ' A' ' 41' ' ' CYS . 36.1 ttm -41.6 104.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -90.76 -54.64 3.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -66.42 102.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.0 t -123.2 95.33 4.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -171.37 123.98 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -96.6 104.74 16.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 77' ' ' ARG . 33.9 m -92.68 168.82 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 21.0 m-85 -118.17 148.85 41.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.9 m -112.18 128.53 56.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.438 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 4.7 t -55.57 173.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.1 t -115.03 4.86 14.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.806 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.461 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 87.1 t -126.18 -48.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.488 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.4 p -113.07 -2.24 14.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.438 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 24.3 mm-40 60.5 34.93 20.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.608 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 1.1 tp10 -58.41 -178.58 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.7 p -124.71 126.79 46.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.696 ' CE1' HD13 ' A' ' 82' ' ' LEU . 10.7 m-85 -132.93 118.28 18.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.465 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -53.5 -32.3 49.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 -123.21 168.97 11.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 9.1 tpt180 -76.41 -63.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 79' ' ' ARG . 3.4 tpt -36.59 -47.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -47.96 -52.4 19.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.696 HD13 ' CE1' ' A' ' 76' ' ' PHE . 20.2 tp -54.76 -36.85 65.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -62.43 -44.56 96.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 87' ' ' VAL . 7.2 mt -70.82 -15.99 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.407 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 22.9 t60 -88.2 -40.09 13.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.25 -32.65 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.451 ' CG1' ' HG2' ' A' ' 93' ' ' MET . 3.9 m -52.4 -32.08 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.141 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.4 p -65.82 -28.84 69.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.461 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 62.8 m-70 -82.71 -55.91 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.2 t -68.9 -38.51 79.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 128.19 -53.12 0.81 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -157.06 151.63 25.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.86 0.362 . . . . 0.0 110.902 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.451 ' HG2' ' CG1' ' A' ' 87' ' ' VAL . 7.3 mtp -60.24 153.29 58.71 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.538 0.685 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -48.03 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.372 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -91.21 149.0 21.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.407 ' HG2' ' HG2' ' A' ' 103' ' ' GLN . 9.4 mtmt -152.02 151.54 31.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.1 -175.25 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.8 p -122.9 -45.8 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -69.65 -47.8 62.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.516 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 18.6 p -103.93 -15.39 15.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.5 m 64.66 33.75 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.516 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.0 mm-40 -64.03 -173.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.484 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 35.4 mt-30 -140.51 142.56 35.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 5.6 m-85 -147.26 160.42 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.1 mmt -99.44 -24.56 14.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -116.65 155.6 28.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -71.69 -49.98 34.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 4.7 pttm -56.15 -36.23 68.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.934 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.463 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 7.0 t0 -60.19 -36.96 78.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 24.5 tp -75.94 -49.15 18.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -52.49 -50.81 62.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.412 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 2.4 t -62.64 -38.51 90.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.522 ' CE1' HD12 ' A' ' 117' ' ' LEU . 5.3 t60 -63.73 -39.44 94.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 118' ' ' HIS . 39.4 mtp -76.57 -32.64 58.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.2 mt -76.98 -29.79 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.412 ' CD ' ' O ' ' A' ' 112' ' ' SER . 3.2 mptt -86.79 -58.28 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.522 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.8 mt -75.43 -55.29 5.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 114' ' ' MET . 75.4 m-70 -90.22 36.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 40.3 p -47.65 -48.32 28.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 119.92 178.38 16.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 152.69 69.36 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.315 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 81.3 p -118.36 170.87 8.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 26.8 m -153.46 149.94 28.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.486 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.2 t -50.88 119.1 3.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -96.31 -61.97 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.27 97.87 1.25 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p -51.13 -57.16 9.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -170.24 176.54 4.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.806 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.06 176.81 25.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.607 HG21 ' HB2' ' A' ' 23' ' ' LEU . 34.4 m -99.44 170.49 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 111.153 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -136.57 139.4 42.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -90.95 115.23 63.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.639 0.733 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 5.63 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.42 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 4.1 m -101.67 -56.62 2.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 p -117.05 15.38 15.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 51.67 29.04 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.814 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -91.79 113.9 26.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -81.84 161.9 23.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -143.62 169.34 17.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mp -61.09 -53.5 56.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 t -146.34 167.24 24.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' O ' ' C ' ' A' ' 21' ' ' TYR . 2.5 mptp? -43.75 -58.16 2.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.475 ' C ' ' O ' ' A' ' 20' ' ' LYS . 8.8 t80 -32.13 -60.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -55.89 -46.81 78.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.607 ' HB2' HG21 ' A' ' 8' ' ' VAL . 57.4 tp -52.75 -49.13 66.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -54.75 -66.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.7 t -42.84 -38.22 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.403 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 4.7 t60 -69.7 -60.66 2.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -40.08 -44.63 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 27' ' ' ASN . 69.5 mtp180 -35.42 -44.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -48.55 75.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' ASN . 12.8 m-70 -50.43 -44.21 55.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.0 p -81.76 112.49 18.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -121.9 -116.92 2.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -75.68 4.19 8.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.956 0.408 . . . . 0.0 110.922 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -132.95 89.72 33.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 -42.59 3.23 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.262 . . . . 0.0 112.287 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -138.39 117.29 12.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 22.0 tt0 -125.27 148.41 48.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.416 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 4.1 t -64.32 114.51 14.36 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.654 0.74 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -10.91 29.67 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.318 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' HD3' ' SG ' ' A' ' 38' ' ' CYS . 2.4 mptt -86.81 -46.68 9.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 38' ' ' CYS . 28.3 p -111.59 -47.26 3.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.24 38.48 1.36 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.44 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 13.4 tptm -98.08 118.82 35.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.8 p -78.53 158.45 28.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -160.92 109.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -40.61 -60.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -93.56 120.11 33.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' GLU . 38.2 tttt -46.45 -45.97 18.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' LYS . 23.7 tt0 -36.22 -49.63 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -59.58 -57.18 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.2 tp -45.58 -56.45 5.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.9 mt -43.96 -50.9 8.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -55.25 -66.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.558 ' CE1' ' HA ' ' A' ' 59' ' ' CYS . 1.3 t60 -37.58 -48.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -45.92 -43.64 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.24 -48.78 8.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -53.88 -60.5 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 54' ' ' HIS . 19.3 t-20 -165.62 151.24 9.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.558 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 17.8 t -139.43 141.82 37.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.414 ' CG ' ' O ' ' A' ' 59' ' ' CYS . 23.7 ptp 44.37 36.06 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -47.98 -49.96 28.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -59.2 118.9 6.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.5 t -105.37 -7.14 19.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -96.71 135.51 38.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -91.12 101.72 14.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.3 m -87.89 165.78 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 11.1 m-85 -112.51 151.8 29.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 94.5 m -115.49 123.08 47.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.434 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 4.5 t -47.36 175.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.6 p -114.55 4.41 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.476 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 85.5 t -127.36 -47.85 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.129 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 29.7 p -113.89 0.09 14.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.434 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 22.6 mm-40 58.69 32.74 22.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.596 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -53.22 -174.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.869 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.6 p -127.7 126.17 41.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.154 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.596 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 13.5 m-85 -134.61 118.72 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.405 ' H ' ' CD ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -52.2 -32.84 38.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -125.67 167.46 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.55 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 15.9 ttp180 -72.52 -64.79 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 79' ' ' ARG . 4.6 tpt -33.07 -48.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -49.74 -49.03 49.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 79' ' ' ARG . 13.8 tp -55.29 -35.35 64.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -66.48 -45.1 80.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.04 -14.12 62.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -89.54 -42.07 11.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.05 -29.92 9.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.446 HG12 ' CE ' ' A' ' 105' ' ' MET . 5.5 m -49.41 -34.51 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.2 p -68.61 -27.69 66.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.476 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 48.6 m-70 -83.73 -51.89 6.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.5 t -74.16 -30.12 62.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 133.61 -65.18 0.59 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.41 ' C ' ' OE1' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -159.61 174.69 14.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.913 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.413 ' SD ' ' HB3' ' A' ' 103' ' ' GLN . 4.3 mtt -76.56 148.48 80.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.706 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -47.4 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.651 2.234 . . . . 0.0 112.335 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 72.7 m-85 -96.2 151.28 19.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.412 ' HE3' ' O ' ' A' ' 93' ' ' MET . 0.4 OUTLIER -153.57 152.56 31.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 179.877 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -84.85 -179.03 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 63.5 m -121.47 -44.52 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -69.91 -48.64 57.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.808 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.496 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 22.8 p -102.14 -18.31 15.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.6 m 69.25 30.41 4.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.496 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.6 mm-40 -62.66 -174.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.478 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 33.0 mt-30 -140.87 143.97 35.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 8.0 m-85 -147.17 159.75 43.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.446 ' CE ' HG12 ' A' ' 87' ' ' VAL . 5.1 mmt -95.26 -25.57 16.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -118.25 157.03 27.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 48.8 tttt -71.59 -51.22 24.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 35.8 pttt -55.08 -37.5 66.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 3.0 t70 -58.13 -37.8 75.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.2 tp -75.55 -51.9 11.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -49.28 -50.2 40.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 t -62.84 -40.81 98.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.516 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.6 t60 -60.91 -38.1 84.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 45.6 mtp -78.93 -29.57 44.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.1 mt -78.26 -25.11 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -91.74 -57.38 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.516 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.7 mt -77.09 -54.31 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 120' ' ' GLY . 73.1 m-70 -88.67 37.75 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.0 t -57.97 84.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 118' ' ' HIS . . . -108.07 167.02 13.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.502 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 110.68 2.61 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.9 t -90.77 160.59 15.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 59.6 p -168.57 154.67 6.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.491 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -150.29 168.02 25.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 0.0 110.849 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.3 p -157.61 167.67 29.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.88 151.84 8.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.7 p -123.38 102.59 7.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 p -78.14 170.09 17.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.07 174.15 14.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.548 HG21 ' HB2' ' A' ' 23' ' ' LEU . 25.4 m -78.4 174.47 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.788 0.328 . . . . 0.0 111.114 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -140.65 145.63 36.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 39.0 t -96.18 115.31 65.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 8.34 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.498 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.6 m -105.01 -61.0 1.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 13.3 p -110.52 13.0 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 54.98 28.09 10.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.409 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 30.5 tttp -88.58 122.37 31.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -95.87 154.57 17.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -139.17 172.37 12.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.7 mt -59.99 -58.59 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 m -131.38 165.26 23.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' CG ' ' HE2' ' A' ' 24' ' ' LYS . 1.7 tppp? -56.9 -37.83 71.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -45.46 -54.13 7.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -61.75 -38.87 89.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.548 ' HB2' HG21 ' A' ' 8' ' ' VAL . 32.0 tp -59.05 -56.24 24.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' HE2' ' CG ' ' A' ' 20' ' ' LYS . 50.7 mttm -46.67 -59.1 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.3 t -51.31 -36.61 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.447 ' O ' ' C ' ' A' ' 27' ' ' ASN . 3.9 t60 -69.94 -58.3 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' HIS . 0.4 OUTLIER -34.01 -43.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 27' ' ' ASN . 70.3 mtt-85 -36.88 -48.41 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -43.7 -47.89 7.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.498 ' CG ' HG21 ' A' ' 12' ' ' THR . 65.5 m-70 -62.79 -55.37 27.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.0 p -61.54 157.35 17.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 136.52 66.35 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 33' ' ' GLU . 8.2 tt0 -133.13 5.96 3.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.961 0.41 . . . . 0.0 110.893 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -133.1 87.73 38.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.547 0.689 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 36' ' ' PHE . 54.0 Cg_endo -69.73 8.37 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.629 2.22 . . . . 0.0 112.348 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.575 ' CD1' ' HG2' ' A' ' 35' ' ' PRO . 68.6 m-85 -137.23 142.52 42.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.459 ' HG2' ' N ' ' A' ' 38' ' ' CYS . 36.7 tt0 -145.03 160.75 40.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.573 ' HA ' HD11 ' A' ' 51' ' ' LEU . 4.6 t -79.94 112.7 32.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.681 0.753 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 1.02 4.83 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -99.66 -41.47 7.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.8 p -120.08 -40.62 2.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.6 33.31 2.91 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.458 ' HD2' ' CZ ' ' A' ' 45' ' ' TYR . 5.5 tmtm? -94.98 111.74 23.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.1 m -67.59 158.1 32.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.458 ' CZ ' ' HD2' ' A' ' 43' ' ' LYS . 18.8 m-85 -150.1 146.16 26.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -62.06 -54.61 39.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -111.68 150.5 30.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' GLU . 24.2 tttt -56.96 -53.71 54.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' LYS . 3.3 mp0 -37.66 -59.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -47.77 -46.0 29.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.573 HD11 ' HA ' ' A' ' 38' ' ' CYS . 8.1 tp -62.01 -50.58 71.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.1 mt -53.05 -47.98 68.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 56' ' ' ALA . 59.7 mt-10 -58.75 -66.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.49 ' CE1' ' HA ' ' A' ' 59' ' ' CYS . 3.0 t60 -35.61 -42.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -59.79 -48.9 79.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 53' ' ' GLU . . . -75.61 -54.24 7.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -54.14 -61.58 2.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -168.17 124.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.49 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 15.8 t -96.02 -54.99 3.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.89 164.8 26.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -100.39 138.22 37.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -138.58 153.75 48.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 52.5 p -54.86 169.63 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -38.98 126.38 1.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -128.8 95.92 4.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 77' ' ' ARG . 29.0 m -69.79 168.38 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 26.8 m-85 -119.34 147.82 43.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.0 m -110.59 126.2 54.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.432 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.2 t -50.16 176.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 m -117.16 4.58 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.469 HG23 ' HE1' ' A' ' 86' ' ' MET . 92.0 t -127.96 -47.38 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.479 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.6 p -113.54 -0.47 14.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.411 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 14.5 mm-40 58.28 34.81 24.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -57.27 -176.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.2 p -125.98 123.27 38.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 74' ' ' GLU . 9.2 m-85 -129.79 117.62 20.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.517 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -52.19 -33.27 40.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -123.66 165.93 16.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.565 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 12.5 tpt180 -72.72 -61.42 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 79' ' ' ARG . 2.6 tpt -35.92 -48.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -48.11 -51.78 23.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.474 HD13 ' CE1' ' A' ' 76' ' ' PHE . 18.5 tp -52.92 -37.11 60.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -64.74 -45.24 87.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.489 ' O ' HG22 ' A' ' 87' ' ' VAL . 6.4 mt -70.57 -16.38 62.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -87.21 -43.3 12.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.469 ' HE1' HG23 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -49.62 -32.54 13.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 84' ' ' LEU . 10.3 m -47.64 -35.92 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -66.38 -30.09 70.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.449 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 59.3 m-70 -81.56 -53.06 6.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.0 t -67.82 -40.35 83.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 130.64 -43.23 1.32 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -172.86 151.13 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.898 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.404 ' SD ' ' HB3' ' A' ' 103' ' ' GLN . 3.9 mtt -55.61 152.93 16.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -49.92 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 83.7 m-85 -93.89 152.92 18.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -155.08 146.24 22.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -79.3 -174.59 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.9 m -124.38 -45.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.575 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.3 t -70.73 -49.56 45.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.503 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 21.3 p -101.47 -15.73 17.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.0 m 66.02 31.98 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.503 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.3 mm-40 -62.32 -174.18 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.553 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 30.9 mt-30 -142.37 143.92 32.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.553 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.0 m-85 -147.11 165.52 29.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.1 mmt -99.87 -26.8 13.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -117.08 157.24 26.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 80.0 tttt -72.26 -50.86 23.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 33.9 pttt -55.58 -38.21 69.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.29 -36.02 72.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.6 tp -76.13 -51.15 12.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -49.29 -50.04 40.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.422 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 2.3 t -62.04 -41.2 97.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.512 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.2 t60 -59.42 -38.76 81.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.875 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.454 ' O ' ' C ' ' A' ' 118' ' ' HIS . 42.3 mtp -77.29 -31.66 54.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.2 mt -76.46 -28.75 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.422 ' CD ' ' O ' ' A' ' 112' ' ' SER . 0.5 OUTLIER -86.96 -56.63 3.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.802 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.512 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.9 mt -79.28 -56.13 4.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 95.4 m-70 -86.01 32.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.1 t -57.14 83.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 118' ' ' HIS . . . -85.84 165.65 38.47 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.453 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -31.83 20.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.71 2.274 . . . . 0.0 112.335 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 77.7 p 40.35 41.75 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.5 p 41.65 43.84 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.491 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -98.29 147.48 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -91.81 -63.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.22 -146.49 29.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 m 55.73 44.92 25.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.852 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -155.95 171.77 19.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.99 175.07 53.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.73 HG11 ' HD3' ' A' ' 20' ' ' LYS . 26.5 m -82.22 -179.62 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -152.2 148.74 27.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.431 ' C ' ' H ' ' A' ' 12' ' ' THR . 3.5 t -88.25 117.15 68.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.641 0.734 . . . . 0.0 110.85 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 12.34 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.721 2.28 . . . . 0.0 112.334 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.431 ' H ' ' C ' ' A' ' 10' ' ' CYS . 50.6 m -120.71 -58.39 1.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.9 p -100.84 -8.81 22.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 64.19 43.14 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.545 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 14.1 ttmm -103.79 109.31 20.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -77.33 140.22 39.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.545 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 70.9 m-85 -128.0 159.41 35.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.8 mt -49.55 -64.83 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 t -125.34 151.13 46.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.73 ' HD3' HG11 ' A' ' 8' ' ' VAL . 9.1 tppt? -44.87 -46.2 10.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.537 ' O ' HG23 ' A' ' 25' ' ' VAL . 36.7 t80 -37.27 -39.53 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -76.95 -36.88 56.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 20' ' ' LYS . 27.9 tp -67.54 -46.24 73.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -61.95 -38.49 88.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 21' ' ' TYR . 78.6 t -73.07 -38.52 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -70.31 -48.55 56.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.471 ' O ' ' C ' ' A' ' 28' ' ' ARG . 1.7 t30 -45.64 -43.12 12.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 27' ' ' ASN . 33.5 mtp180 -32.87 -39.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 27' ' ' ASN . 20.4 mttm -57.41 -53.43 58.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' ASN . 57.5 m-70 -53.54 -47.58 69.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.6 p -70.53 120.78 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.78 124.18 2.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -100.77 177.23 5.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.398 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 45' ' ' TYR . 36.5 mttp -122.17 144.15 40.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.699 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.513 ' HG2' ' CD2' ' A' ' 36' ' ' PHE . 53.5 Cg_endo -69.77 2.25 3.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.755 2.303 . . . . 0.0 112.324 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.513 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 60.7 m-85 -143.73 135.57 26.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.434 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 26.1 tt0 -154.52 156.48 36.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.1 t -76.55 113.05 25.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.582 0.706 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 1.88 4.05 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.623 2.215 . . . . 0.0 112.353 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -98.02 -38.55 9.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.4 p -124.56 -46.32 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.8 46.33 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.434 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 13.6 tptm -102.43 125.12 49.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.73 0.3 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 20.3 p -72.55 147.19 46.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.402 ' C ' ' HD3' ' A' ' 34' ' ' LYS . 6.6 m-85 -152.22 116.64 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -44.0 -57.64 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -97.82 149.3 22.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' GLU . 9.3 ttpp -73.94 -53.23 10.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' LYS . 14.6 mm-40 -36.55 -59.02 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -53.25 -46.7 69.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.2 tp -57.09 -52.46 65.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.3 mt -46.86 -40.21 13.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 54' ' ' HIS . 32.8 mt-10 -63.91 -65.17 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' GLU . 2.6 t60 -36.14 -48.7 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -40.26 -45.72 2.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -93.14 -43.47 8.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -54.25 -62.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -147.34 146.21 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.3 t -167.82 112.36 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.3 mmt 45.61 41.55 7.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 62' ' ' ARG . 4.7 m120 -54.51 100.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 61' ' ' ASN . 19.5 ttp180 33.88 42.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -101.8 137.67 39.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -79.91 157.16 26.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -82.76 101.02 10.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 77' ' ' ARG . 35.8 m -89.88 171.68 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 9.9 m-85 -116.07 150.39 37.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.9 m -115.05 130.93 57.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.436 ' CB ' ' H ' ' A' ' 74' ' ' GLU . 4.7 t -60.72 172.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.4 t -114.84 5.99 15.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.445 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 87.0 t -126.48 -48.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.4 p -114.24 -1.89 13.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 58.03 39.65 26.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.592 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.2 tp10 -64.1 -176.52 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.4 p -127.91 125.68 40.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.592 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 8.2 m-85 -130.84 120.89 24.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.469 ' H ' ' CD ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -56.03 -31.52 63.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.894 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -120.96 174.5 6.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.586 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 4.2 tpt180 -84.76 -54.44 4.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.1 tpt -44.33 -48.95 9.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -47.6 -48.17 28.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.554 HD13 ' CE1' ' A' ' 76' ' ' PHE . 18.7 tp -55.22 -42.97 74.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -58.6 -46.13 87.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.409 ' O ' HG22 ' A' ' 87' ' ' VAL . 6.7 mt -69.18 -13.29 62.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.405 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 30.9 t60 -90.25 -43.52 10.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.809 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -30.93 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 93' ' ' MET . 7.0 m -50.43 -34.32 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.5 t -65.77 -29.05 69.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.445 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 69.7 m-70 -85.01 -54.65 4.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 91' ' ' GLY . 7.9 t -69.22 -42.77 75.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.432 ' N ' HG23 ' A' ' 90' ' ' THR . . . 144.65 -59.08 0.51 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.32 164.81 10.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.912 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.502 ' SD ' ' CB ' ' A' ' 103' ' ' GLN . 20.8 mtp -74.38 153.66 87.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.557 0.694 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -49.25 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -84.02 153.28 23.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -154.9 155.26 33.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -88.93 -175.58 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.7 t -123.79 -45.41 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 m -69.77 -51.03 37.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.428 ' SG ' ' HG3' ' A' ' 102' ' ' GLN . 31.8 p -99.32 -21.77 15.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 6.7 m 74.93 27.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.528 ' OE1' ' CZ ' ' A' ' 104' ' ' PHE . 1.2 mt-30 -60.3 -173.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.555 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 27.5 mt-30 -140.0 152.63 46.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 9.3 m-85 -158.93 156.23 29.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.42 ' HE3' ' HE3' ' A' ' 93' ' ' MET . 1.8 mtm -103.1 -20.22 14.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -117.83 144.72 45.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -56.34 -57.52 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 16.4 pttm -52.58 -37.09 57.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.478 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 36.1 t0 -56.11 -38.97 71.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.454 HD13 ' CE1' ' A' ' 104' ' ' PHE . 24.1 tp -83.17 -56.43 3.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -48.13 -49.86 30.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -63.25 -39.55 94.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.531 ' CE1' HD12 ' A' ' 117' ' ' LEU . 3.3 t60 -59.97 -40.7 89.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 118' ' ' HIS . 47.7 mtp -75.38 -28.8 59.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 19.1 mt -78.84 -27.67 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.165 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -90.73 -56.23 3.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.531 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.5 mt -76.69 -54.11 7.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 114' ' ' MET . 75.8 m-70 -90.66 35.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.8 t -50.4 -51.84 42.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -83.81 -163.01 34.59 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 135.8 31.43 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.5 t -173.34 125.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.6 t -153.01 154.39 34.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.186 -0.785 . . . . 0.0 112.501 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.1 t -139.19 120.84 15.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.945 0.402 . . . . 0.0 110.835 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -49.08 118.78 2.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.04 40.63 2.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -83.77 143.41 30.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 0.0 110.849 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 t -65.86 104.71 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.88 -169.83 13.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.442 HG11 ' HG2' ' A' ' 20' ' ' LYS . 29.6 m -86.57 -175.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -145.7 129.96 17.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 14' ' ' HIS . 42.4 t -79.83 112.93 33.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.654 0.74 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 3.01 3.01 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.463 HG21 ' CG ' ' A' ' 30' ' ' HIS . 6.1 m -98.55 -52.88 3.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.416 ' SG ' ' CB ' ' A' ' 15' ' ' LYS . 27.9 p -121.5 14.82 11.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 10' ' ' CYS . 56.0 m-70 54.19 25.0 5.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' HG2' ' CZ ' ' A' ' 17' ' ' PHE . 1.1 ttmp? -88.86 109.67 20.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -79.73 158.81 26.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.423 ' CZ ' ' HG2' ' A' ' 15' ' ' LYS . 73.7 m-85 -139.36 179.27 6.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 mp -68.04 -48.1 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.2 t -147.77 169.57 19.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' LEU . 2.7 mmmm -52.35 -49.0 65.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.596 ' O ' HG23 ' A' ' 25' ' ' VAL . 8.7 t80 -36.72 -43.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -70.8 -40.62 72.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.961 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 20' ' ' LYS . 65.9 tp -65.49 -52.51 52.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.417 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 3.2 ptpp? -59.88 -23.4 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 21' ' ' TYR . 69.5 t -93.11 -23.14 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -93.76 -19.94 20.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.498 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -56.25 -52.01 66.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.498 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -50.83 -41.71 57.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' ARG . 35.0 mmtt -36.62 -36.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.463 ' CG ' HG21 ' A' ' 12' ' ' THR . 87.8 m-70 -68.05 -62.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.1 p -47.66 164.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.17 74.7 2.49 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -104.8 3.46 31.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.386 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -142.7 148.09 44.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.61 0.719 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -49.38 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.401 ' CD2' ' HB2' ' A' ' 48' ' ' LYS . 74.1 m-85 -140.48 176.17 9.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 32.5 tt0 -166.79 138.36 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.543 ' CA ' HD11 ' A' ' 51' ' ' LEU . 4.4 t -53.49 110.18 1.9 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 54.1 Cg_endo -69.67 1.68 4.16 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.275 . . . . 0.0 112.37 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -100.4 -41.52 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.2 p -117.9 -42.25 2.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.56 40.45 1.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.408 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -98.68 123.27 42.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.727 0.299 . . . . 0.0 110.907 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.544 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 26.3 p -66.64 158.93 28.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 44' ' ' CYS . 23.8 m-85 -163.98 110.74 1.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -44.86 -50.93 10.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -104.38 120.83 42.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HB2' ' CD2' ' A' ' 36' ' ' PHE . 69.5 tttt -51.6 -48.69 63.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -40.28 -58.87 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -50.08 -56.99 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.543 HD11 ' CA ' ' A' ' 38' ' ' CYS . 35.6 tp -43.32 -59.07 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.2 mt -42.61 -43.63 3.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -63.47 -40.59 97.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -58.26 -52.85 63.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.817 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -39.52 -45.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.15 -47.08 13.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -54.46 -64.29 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -147.67 151.45 36.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.7 t -175.41 166.51 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.6 mtt -58.71 93.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -45.24 148.66 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.4 ttt85 -59.35 163.21 4.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.7 m -55.34 157.89 3.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 65' ' ' GLN . 15.0 mp0 -125.11 178.6 5.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 64' ' ' GLU . 16.0 tt0 -34.29 114.28 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.0 m -85.1 160.94 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -109.36 165.25 11.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 92.3 m -127.79 128.32 45.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.418 ' SG ' ' CE ' ' A' ' 86' ' ' MET . 6.5 t -58.33 170.28 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.2 t -113.27 6.91 17.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.44 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 60.1 t -125.24 -49.17 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.9 p -112.36 -6.13 14.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 63.23 35.85 12.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 3.2 tp10 -60.42 -178.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.8 p -125.47 126.64 45.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 9.7 m-85 -128.81 157.53 41.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -93.43 -30.48 15.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.408 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 23.3 mtt180 -127.04 163.58 23.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -67.74 -56.28 9.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.404 ' HE2' ' HB2' ' A' ' 83' ' ' ARG . 4.6 tpt -44.78 -50.06 10.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -44.28 -50.03 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.469 HD13 ' CE1' ' A' ' 76' ' ' PHE . 26.0 tp -59.25 -37.86 78.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.404 ' HB2' ' HE2' ' A' ' 80' ' ' MET . 17.4 mmm180 -63.02 -40.15 96.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 mt -74.72 -14.19 60.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.403 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 21.4 t60 -91.94 -41.44 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.418 ' CE ' ' SG ' ' A' ' 69' ' ' CYS . 0.1 OUTLIER -51.35 -33.17 28.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.413 ' CG1' ' HG2' ' A' ' 93' ' ' MET . 6.1 m -50.07 -33.81 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.2 p -65.26 -30.07 70.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.44 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 61.9 m-70 -82.02 -54.47 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.508 HG23 ' N ' ' A' ' 91' ' ' GLY . 6.2 t -68.02 -47.85 67.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.508 ' N ' HG23 ' A' ' 90' ' ' THR . . . 148.23 -50.89 0.57 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -172.61 171.02 4.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.626 ' HE2' ' HG2' ' A' ' 105' ' ' MET . 2.2 mtt -78.2 146.46 70.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -37.56 9.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.547 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 85.9 m-85 -107.1 154.85 20.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -156.62 147.71 22.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.5 t -81.17 -175.52 5.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.4 t -123.98 -47.4 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -67.1 -50.12 62.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.435 ' SG ' ' HG3' ' A' ' 102' ' ' GLN . 31.3 p -99.05 -24.15 15.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m 74.54 30.54 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.435 ' HG3' ' SG ' ' A' ' 100' ' ' CYS . 1.8 mt-30 -65.75 -175.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.615 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 31.5 mt-30 -139.72 149.51 43.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.615 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 2.0 m-85 -148.86 161.1 42.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.626 ' HG2' ' HE2' ' A' ' 93' ' ' MET . 5.7 mmt -96.0 -27.62 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -117.17 159.52 22.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.547 ' HG3' ' CE1' ' A' ' 95' ' ' TYR . 6.5 ttpp -71.26 -59.45 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.406 ' CD ' ' H ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -49.79 -35.47 22.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -57.62 -38.04 74.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.4 tp -77.63 -52.04 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -47.18 -49.94 21.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.454 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 1.4 t -63.53 -41.12 98.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.483 ' CE1' HD12 ' A' ' 117' ' ' LEU . 3.1 t60 -59.16 -39.42 82.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 118' ' ' HIS . 47.9 mtp -76.65 -30.71 56.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 19.1 mt -77.49 -28.56 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.454 ' CD ' ' O ' ' A' ' 112' ' ' SER . 1.1 mptm? -87.21 -57.57 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.494 HD23 ' N ' ' A' ' 117' ' ' LEU . 4.8 mt -76.52 -55.56 5.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' MET . 69.2 m-70 -89.16 34.24 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.0 t -40.24 -60.01 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -127.13 177.58 17.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 144.44 54.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 93.3 p -150.33 120.19 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 124' ' ' GLY . 26.3 m -98.18 42.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 123' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.1 p -149.19 177.37 9.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.343 . . . . 0.0 110.905 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -164.05 135.91 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.08 -163.86 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t -64.15 86.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.812 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -137.79 167.44 21.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.1 -169.37 42.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.428 HG11 ' HG3' ' A' ' 20' ' ' LYS . 27.6 m -77.11 -177.47 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 111.118 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -143.77 134.2 24.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.9 t -83.14 114.51 53.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.647 0.736 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 5.05 1.84 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.602 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.2 m -99.66 -52.84 3.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.4 p -122.94 13.46 9.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 57.41 24.96 10.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.414 ' HG2' ' CZ ' ' A' ' 17' ' ' PHE . 25.2 ttmt -88.71 113.62 24.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -82.55 162.54 21.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.433 ' CZ ' ' CG ' ' A' ' 26' ' ' HIS . 88.3 m-85 -143.82 175.57 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.3 mt -70.53 -57.31 4.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.9 t -129.33 163.45 25.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HG3' HG11 ' A' ' 8' ' ' VAL . 4.1 mppt? -58.23 -31.49 67.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.451 ' O ' HG23 ' A' ' 25' ' ' VAL . 54.3 t80 -52.1 -38.7 58.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -79.22 -29.75 42.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.96 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.3 tp -70.71 -47.93 57.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -61.13 -39.59 90.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 21' ' ' TYR . 86.7 t -73.23 -41.41 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.433 ' CG ' ' CZ ' ' A' ' 17' ' ' PHE . 4.2 t60 -67.18 -41.93 85.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -55.75 -46.84 77.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -41.31 -44.36 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -49.23 -49.96 40.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.602 ' CG ' HG21 ' A' ' 12' ' ' THR . 33.4 m-70 -46.54 -58.67 3.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.8 t -84.34 161.92 20.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.87 -172.34 0.62 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 pm0 -79.03 164.78 24.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.886 0.374 . . . . 0.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 21.7 mtmm -133.41 93.68 21.34 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.697 . . . . 0.0 110.925 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 34' ' ' LYS . 54.0 Cg_endo -69.73 -46.91 1.07 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.69 2.26 . . . . 0.0 112.378 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.5 ' HB3' HD22 ' A' ' 51' ' ' LEU . 64.0 m-85 -120.91 167.59 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 44' ' ' CYS . 40.4 tt0 -165.6 150.52 8.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.1 t -68.9 113.36 15.67 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.717 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.22 4.66 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -101.03 -45.68 5.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.8 p -113.38 -39.59 4.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.54 38.94 2.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' HD3' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -99.01 100.25 11.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.732 0.301 . . . . 0.0 110.925 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.534 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 25.9 p -44.63 167.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.534 ' CG ' ' O ' ' A' ' 44' ' ' CYS . 9.7 m-85 -175.25 111.04 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.99 -41.22 97.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -85.84 112.49 21.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -49.55 -56.54 9.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -47.37 -57.21 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -46.5 -48.6 19.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.5 HD22 ' HB3' ' A' ' 36' ' ' PHE . 31.9 tp -55.36 -53.37 57.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 74.0 mt -54.59 -42.19 70.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 56' ' ' ALA . 19.2 mt-10 -61.41 -64.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 59' ' ' CYS . 1.2 t60 -35.58 -46.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.19 -45.52 53.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' GLU . . . -83.3 -49.42 9.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.055 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -64.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -163.0 131.31 3.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 60' ' ' MET . 4.7 t -111.51 102.15 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.46 ' C ' ' O ' ' A' ' 59' ' ' CYS . 7.3 ptm -33.73 143.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -119.3 85.7 2.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.488 ' N ' ' HD2' ' A' ' 62' ' ' ARG . 0.2 OUTLIER -107.53 -173.66 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.8 m 62.66 47.2 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 65' ' ' GLN . 11.8 pt-20 -61.05 -175.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 64' ' ' GLU . 8.0 tt0 -34.97 112.95 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.3 m -80.4 162.75 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -108.63 168.13 9.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.0 m -132.03 124.98 30.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 7.3 t -56.17 169.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.9 t -112.9 5.7 17.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.572 HG11 ' ND1' ' A' ' 89' ' ' HIS . 98.4 t -123.29 -48.88 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.8 p -112.91 -6.24 13.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 63.47 35.63 11.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.595 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.8 tp10 -59.6 -178.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.3 p -126.89 127.54 45.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.595 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 9.4 m-85 -130.21 158.16 40.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -91.16 -32.3 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 69.6 mtt180 -127.61 160.25 32.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -62.36 -61.35 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.451 ' HE2' ' HB2' ' A' ' 83' ' ' ARG . 1.5 tpt -38.86 -50.8 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -43.63 -50.13 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.522 HD13 ' CE1' ' A' ' 76' ' ' PHE . 21.3 tp -55.28 -42.81 74.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.451 ' HB2' ' HE2' ' A' ' 80' ' ' MET . 5.3 mmp_? -58.6 -51.76 68.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.404 ' O ' HG22 ' A' ' 87' ' ' VAL . 5.6 mt -60.61 -19.17 57.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -89.62 -42.08 11.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -50.79 -34.11 26.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 84' ' ' LEU . 4.4 m -48.93 -33.27 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 m -66.34 -29.65 69.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.572 ' ND1' HG11 ' A' ' 71' ' ' VAL . 68.1 m-70 -83.3 -54.37 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 t -67.2 -40.59 86.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.78 -65.51 0.52 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -155.82 163.4 39.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.441 ' CG ' ' HB3' ' A' ' 103' ' ' GLN . 3.3 mtt -71.84 151.99 93.18 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.56 0.695 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -40.05 5.85 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.649 2.233 . . . . 0.0 112.343 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 87.0 m-85 -108.98 150.39 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -153.21 147.82 26.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.61 -178.24 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 t -118.42 -46.46 2.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.1 t -68.82 -54.38 16.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 32.0 p -94.11 -21.39 19.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.5 m 69.89 27.88 4.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -63.27 -175.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.517 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 34.9 mt-30 -136.81 152.04 49.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 5.4 m-85 -149.66 160.22 43.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.8 mmt -97.35 -26.36 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -122.61 151.84 41.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 20.3 tttp -64.74 -49.04 72.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -58.02 -27.19 63.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.28 -32.44 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.435 HD13 ' CE1' ' A' ' 104' ' ' PHE . 16.5 tp -80.49 -48.82 12.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -51.38 -52.3 47.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.408 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 2.9 t -61.53 -36.56 80.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.587 ' CE1' HD12 ' A' ' 117' ' ' LEU . 2.7 t60 -63.25 -39.91 95.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 118' ' ' HIS . 38.4 mtp -75.86 -26.6 57.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.9 mt -80.64 -27.43 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 112' ' ' SER . 5.5 mptt -90.24 -59.29 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.587 HD12 ' CE1' ' A' ' 113' ' ' HIS . 7.2 mt -73.42 -52.58 13.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' MET . 84.2 m-70 -94.51 38.43 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.7 t -55.66 -51.02 68.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 81.57 169.39 42.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.1 69.3 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.242 . . . . 0.0 112.349 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 96.0 p -102.49 115.56 30.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 73.0 m -147.02 117.63 7.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.819 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.516 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -114.89 116.65 28.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 p -118.53 174.29 6.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.58 100.78 0.15 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -93.74 43.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 110.851 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 p -70.88 173.7 7.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.08 169.52 26.63 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.6 m -66.81 167.74 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -135.92 136.9 40.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.0 t -85.8 115.55 62.12 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 4.8 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.364 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.426 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 3.1 m -100.06 -54.57 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.101 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.2 p -119.68 12.97 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 54.84 28.21 10.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.472 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 10.2 ttmm -90.05 110.7 21.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -85.46 158.88 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.472 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 56.0 m-85 -138.2 -179.58 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.429 ' H ' HD12 ' A' ' 18' ' ' LEU . 5.8 mp -73.56 -52.34 13.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.52 173.99 11.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -59.38 -47.63 84.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -38.07 -53.77 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -59.38 -50.84 72.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.6 tp -53.51 -41.4 66.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -62.72 -51.01 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.4 -34.91 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.484 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 4.3 t60 -73.36 -63.54 1.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.484 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -38.2 -50.42 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.471 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 28.0 mtt180 -37.27 -42.49 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -53.79 -45.17 70.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.426 ' NE2' ' HB ' ' A' ' 12' ' ' THR . 17.9 m-70 -51.78 -40.98 61.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.5 p -82.04 142.47 32.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.07 44.05 2.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -130.38 4.38 4.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -122.71 100.24 41.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.612 0.72 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -35.42 12.71 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.656 2.237 . . . . 0.0 112.333 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.556 ' CE2' ' HE3' ' A' ' 48' ' ' LYS . 84.5 m-85 -136.38 153.23 51.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' HG3' ' C ' ' A' ' 43' ' ' LYS . 49.4 tt0 -158.49 128.83 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.527 ' HA ' HD11 ' A' ' 51' ' ' LEU . 4.3 t -47.8 110.92 1.5 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.605 0.716 . . . . 0.0 110.833 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 0.54 5.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.391 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -97.96 -42.08 7.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.492 ' CB ' ' HB3' ' A' ' 60' ' ' MET . 19.9 p -117.75 -47.0 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.64 36.01 0.94 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.425 ' C ' ' HG3' ' A' ' 37' ' ' GLU . 13.8 tptm -93.72 114.86 27.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.2 p -68.58 149.43 49.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -155.04 119.4 4.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -51.01 -55.43 17.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -97.64 134.25 41.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.556 ' HE3' ' CE2' ' A' ' 36' ' ' PHE . 14.3 ttmt -59.52 -46.07 89.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -39.58 -60.67 0.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -50.88 -55.16 18.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.527 HD11 ' HA ' ' A' ' 38' ' ' CYS . 23.5 tp -47.1 -58.9 3.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.7 mt -48.91 -42.71 37.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.13 -48.14 83.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.509 ' CE1' ' HA ' ' A' ' 59' ' ' CYS . 2.3 t60 -54.02 -38.71 65.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -55.47 -63.46 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.23 -49.24 70.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -53.49 -63.32 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -168.86 130.03 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.509 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 8.9 t -110.35 144.74 38.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.492 ' HB3' ' CB ' ' A' ' 41' ' ' CYS . 18.6 tmm? -41.29 133.15 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -93.36 118.88 31.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -79.33 44.96 0.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.3 p -108.24 89.22 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -163.58 149.85 11.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -112.65 93.88 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.9 m -74.45 166.7 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 79' ' ' ARG . 10.4 m-85 -112.66 151.28 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 96.0 m -115.11 127.93 55.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.429 ' HB3' ' N ' ' A' ' 73' ' ' GLN . 5.8 t -56.86 171.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.0 t -112.43 5.96 18.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.496 HG11 ' ND1' ' A' ' 89' ' ' HIS . 90.9 t -126.43 -48.7 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 27.2 p -113.78 -2.41 13.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.429 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 36.9 mm-40 60.08 35.01 21.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.597 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -58.79 -175.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.1 p -127.19 127.47 44.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.597 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 8.4 m-85 -133.6 118.47 18.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.413 ' H ' ' CD ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -51.69 -33.9 36.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.405 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 14.8 mtp180 -124.59 169.55 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.556 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 12.3 tpt180 -75.42 -59.78 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' ARG . 2.9 tpt -37.3 -49.12 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -48.37 -48.69 36.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.528 HD13 ' CE1' ' A' ' 76' ' ' PHE . 25.6 tp -56.43 -38.49 71.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -62.41 -44.67 95.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.06 -13.84 62.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -90.73 -41.99 10.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.11 -32.39 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.413 HG12 ' CE ' ' A' ' 105' ' ' MET . 10.4 m -48.24 -35.35 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.091 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.7 m -65.79 -29.5 70.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.496 ' ND1' HG11 ' A' ' 71' ' ' VAL . 64.6 m-70 -83.92 -55.16 4.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 91' ' ' GLY . 7.8 t -65.77 -43.66 88.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.437 ' N ' HG23 ' A' ' 90' ' ' THR . . . 138.03 -47.02 0.96 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.468 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.22 153.28 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.369 . . . . 0.0 110.854 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.501 ' HG2' ' HE2' ' A' ' 105' ' ' MET . 7.5 mtp -51.73 152.98 4.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -34.89 13.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.384 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -103.03 144.34 31.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.404 ' HE2' ' O ' ' A' ' 93' ' ' MET . 8.9 mtmt -150.41 149.04 29.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -81.79 -174.44 5.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.9 p -122.97 -46.01 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.466 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.8 t -70.25 -48.24 57.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.868 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.511 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 19.8 p -102.62 -17.55 15.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.848 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.4 m 66.42 35.35 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.511 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.4 mm-40 -64.97 -174.75 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -140.79 140.46 34.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 6.2 m-85 -144.93 157.29 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.501 ' HE2' ' HG2' ' A' ' 93' ' ' MET . 11.0 mmt -94.27 -26.58 16.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -116.74 154.35 30.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -67.29 -51.01 57.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 9.2 ptpp? -55.51 -39.91 71.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 6.9 t0 -55.44 -36.65 66.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' A' ' 104' ' ' PHE . 19.2 tp -80.71 -49.34 11.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -49.75 -52.02 34.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.7 t -62.75 -41.67 99.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.525 ' CE1' HD12 ' A' ' 117' ' ' LEU . 5.7 t60 -57.67 -37.72 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.464 ' O ' ' C ' ' A' ' 118' ' ' HIS . 38.6 mtp -80.6 -26.04 38.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.5 mt -80.19 -29.22 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.63 -59.09 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.525 HD12 ' CE1' ' A' ' 113' ' ' HIS . 4.7 mt -76.69 -54.63 6.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.466 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 92.4 m-70 -88.08 32.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 118' ' ' HIS . 97.7 p -35.7 -48.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 130.58 142.65 5.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -176.87 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.7 m -112.63 -54.6 2.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 21.4 t -74.72 -50.87 15.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.475 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 m -137.8 110.89 7.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.834 0.349 . . . . 0.0 110.804 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.7 m -108.23 151.83 25.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.87 -154.82 22.13 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m 53.9 41.12 32.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.847 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -139.39 166.64 24.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.61 -172.6 32.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.441 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.9 m -93.46 169.02 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 0.0 111.095 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.401 ' OE2' ' HE2' ' A' ' 16' ' ' LYS . 27.5 tt0 -139.81 131.93 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.2 t -78.7 114.85 47.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.649 0.738 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 5.05 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.739 2.292 . . . . 0.0 112.351 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.502 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.7 m -100.43 -54.42 2.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 25.3 p -121.81 17.1 11.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 52.97 25.83 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 32.1 tttt -85.25 106.86 16.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HE2' ' OE2' ' A' ' 9' ' ' GLU . 41.5 mttt -79.68 160.6 26.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.44 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 63.5 m-85 -139.91 -178.2 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.674 HD23 ' H ' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -85.43 -39.85 17.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -135.77 174.26 10.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.43 -48.78 38.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.614 ' O ' HG23 ' A' ' 25' ' ' VAL . 74.6 t80 -39.49 -43.58 1.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.621 ' HE2' HD11 ' A' ' 18' ' ' LEU . 8.3 m-85 -69.22 -39.61 78.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' LYS . 27.3 tp -62.51 -54.17 43.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 25' ' ' VAL . 18.3 ptmt -56.33 -43.63 79.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 21' ' ' TYR . 80.1 t -66.7 -39.79 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -67.15 -49.73 63.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -42.98 -42.43 3.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.7 mtp85 -44.69 -46.34 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.62 -45.87 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.502 ' CG ' HG21 ' A' ' 12' ' ' THR . 34.5 m-70 -56.98 -62.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 31' ' ' THR . 9.6 t -94.63 114.52 26.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.97 -61.42 0.53 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -48.99 161.87 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.496 ' HD3' ' N ' ' A' ' 46' ' ' PHE . 53.6 mttm -145.43 143.38 19.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.585 0.707 . . . . 0.0 110.893 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.568 ' HG2' ' CD2' ' A' ' 36' ' ' PHE . 53.5 Cg_endo -69.77 4.62 2.09 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.665 2.243 . . . . 0.0 112.363 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.568 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 53.6 m-85 -141.56 133.1 26.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 44' ' ' CYS . 35.7 tt0 -160.93 134.89 6.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 33.9 t -54.07 113.12 4.57 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.617 0.723 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 38' ' ' CYS . 54.1 Cg_endo -69.72 -3.08 11.27 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.52 -41.55 10.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.937 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.7 p -119.66 -47.7 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.04 26.37 2.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -83.05 105.87 14.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 6.1 p -69.07 151.7 46.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.436 ' C ' ' HD3' ' A' ' 34' ' ' LYS . 12.5 m-85 -154.4 129.81 9.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.496 ' N ' ' HD3' ' A' ' 34' ' ' LYS . 8.0 t80 -53.24 -54.15 40.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.25 145.86 27.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HD2' HD23 ' A' ' 51' ' ' LEU . 46.9 tptt -67.07 -42.36 84.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -42.93 -66.1 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -46.93 -48.48 21.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.468 HD23 ' HD2' ' A' ' 48' ' ' LYS . 54.4 tp -55.79 -50.01 71.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.2 mt -51.44 -45.94 62.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 54' ' ' HIS . 43.0 mt-10 -58.2 -65.44 0.65 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 55' ' ' GLU . 2.5 t60 -35.45 -57.48 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' HIS . 5.1 mm-40 -34.37 -44.22 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.15 -41.3 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -54.22 -61.07 2.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -159.12 152.31 22.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.6 t -167.34 121.22 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.8 ptm -39.49 159.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -105.48 126.97 52.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -69.74 172.28 7.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.6 p 49.64 40.95 20.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.471 ' O ' HG13 ' A' ' 66' ' ' VAL . 12.3 pt-20 -86.78 -173.01 4.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -45.86 116.67 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 64' ' ' GLU . 6.8 m -117.83 164.17 14.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 12.1 m-85 -110.5 155.41 22.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 85.0 m -121.42 127.14 50.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.134 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.4 t -58.61 170.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.2 t -112.91 2.99 16.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.443 ' HB ' ' NE2' ' A' ' 89' ' ' HIS . 62.0 t -121.49 -48.45 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.441 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 28.4 p -113.22 -4.26 13.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 60.5 36.94 19.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 3.2 tp10 -59.25 -178.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.1 p -128.22 123.38 34.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.185 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 11.5 m-85 -125.97 161.44 27.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -95.9 -31.97 12.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.438 ' N ' ' HG2' ' A' ' 77' ' ' ARG . 38.6 mtt-85 -123.49 158.68 30.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . 6.6 ttp-105 -65.74 -62.26 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.1 tpt -38.86 -47.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -46.63 -50.62 17.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.456 HD13 ' CE1' ' A' ' 76' ' ' PHE . 29.1 tp -55.77 -37.88 69.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -62.4 -43.15 99.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 87' ' ' VAL . 7.1 mt -72.25 -13.34 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -90.92 -43.38 10.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -53.19 -34.75 58.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 84' ' ' LEU . 4.2 m -50.33 -32.52 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.9 p -70.12 -28.12 65.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.443 ' NE2' ' HB ' ' A' ' 71' ' ' VAL . 29.5 m-70 -79.68 -47.17 15.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.4 t -76.58 -35.8 57.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 130.8 -56.83 0.74 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -157.48 144.89 18.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.332 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.428 ' SD ' ' HB3' ' A' ' 103' ' ' GLN . 4.9 mtt -42.19 155.46 0.25 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.586 0.708 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -32.0 19.11 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 88.9 m-85 -117.81 149.12 41.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.97 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -153.99 149.0 26.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.08 -175.47 5.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.9 p -120.49 -47.56 2.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.501 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.6 t -67.66 -52.67 35.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 30.6 p -94.96 -26.05 16.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t 74.97 26.45 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -62.34 -175.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.539 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 35.2 mt-30 -137.11 152.23 49.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.539 ' CD1' ' C ' ' A' ' 103' ' ' GLN . 8.0 m-85 -151.4 155.71 39.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.2 mmt -92.87 -26.14 17.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -114.86 165.46 12.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 95' ' ' TYR . 20.3 ttmt -81.9 -47.52 12.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -32.4 70.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -62.04 -37.69 85.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.2 tp -75.76 -52.23 10.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -48.69 -50.5 33.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.444 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 2.2 t -65.01 -35.7 82.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.834 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.598 ' CE1' HD12 ' A' ' 117' ' ' LEU . 3.0 t60 -62.8 -39.2 93.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 118' ' ' HIS . 44.7 mtp -77.2 -28.79 53.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 16.9 mt -78.96 -23.36 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.444 ' CD ' ' O ' ' A' ' 112' ' ' SER . 2.4 mptp? -95.97 -56.74 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.598 HD12 ' CE1' ' A' ' 113' ' ' HIS . 6.3 mt -75.66 -45.15 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.501 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 96.3 m-70 -102.42 45.67 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.7 t -75.88 48.61 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.93 -179.31 32.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 132.34 23.09 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.633 2.222 . . . . 0.0 112.332 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.2 m -142.32 135.93 29.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.2 t -123.78 111.43 16.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.488 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -174.45 131.04 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.6 m -61.19 121.44 12.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.77 -145.42 4.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -95.39 81.7 3.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.87 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 m -131.67 173.6 10.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.95 -165.14 14.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 m -99.21 168.6 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -137.25 145.75 43.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.4 t -94.28 116.43 66.41 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.63 0.729 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 8.67 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.334 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.451 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.8 m -104.42 -55.56 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.9 p -118.93 15.35 13.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 50.25 34.79 9.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -95.59 112.15 23.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -82.91 155.72 23.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -133.63 172.37 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.693 HD23 ' H ' ' A' ' 18' ' ' LEU . 0.6 OUTLIER -80.56 -39.42 27.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.4 p -135.73 159.8 40.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 21' ' ' TYR . 3.0 mppt? -57.25 -57.19 13.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.468 ' C ' ' O ' ' A' ' 20' ' ' LYS . 32.2 t80 -32.44 -62.53 0.23 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.653 ' HE2' HD11 ' A' ' 18' ' ' LEU . 7.3 m-85 -47.68 -53.02 16.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.9 tp -48.4 -50.44 30.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.53 -65.7 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.2 t -45.5 -29.92 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -77.01 -55.19 5.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.52 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -44.64 -52.89 7.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.52 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 61.6 mtt180 -36.5 -41.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -55.28 -46.68 76.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.451 ' CG ' HG21 ' A' ' 12' ' ' THR . 9.6 m-70 -51.36 -64.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.0 p -47.28 -44.37 23.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.69 -130.92 35.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -108.94 146.54 33.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.496 ' CB ' ' HB3' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -126.03 81.34 66.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.568 0.699 . . . . 0.0 110.928 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.448 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 53.5 Cg_endo -69.76 4.9 1.92 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 35' ' ' PRO . 19.6 m-85 -143.58 150.79 39.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.416 ' OE2' ' O ' ' A' ' 42' ' ' GLY . 61.1 tt0 -154.77 127.32 7.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.514 ' CA ' HD11 ' A' ' 51' ' ' LEU . 3.8 t -42.21 110.32 0.81 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.636 0.731 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 0.35 5.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.28 . . . . 0.0 112.326 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -98.15 -46.12 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.4 p -112.17 -45.07 3.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.416 ' O ' ' OE2' ' A' ' 37' ' ' GLU . . . 111.14 42.96 1.04 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.59 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 6.0 tmtt? -100.98 109.83 21.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.731 0.301 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.496 ' HB3' ' CB ' ' A' ' 34' ' ' LYS . 75.5 m -61.05 153.91 24.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.59 ' CE2' ' HD2' ' A' ' 43' ' ' LYS . 16.8 m-85 -153.11 139.9 19.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -50.42 -58.26 6.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -116.24 164.59 14.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -71.38 -52.44 18.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -38.81 -54.39 1.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -54.93 -50.65 68.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.514 HD11 ' CA ' ' A' ' 38' ' ' CYS . 24.9 tp -48.76 -51.15 30.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.8 mt -50.47 -44.32 55.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -55.55 -38.25 69.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 54' ' ' HIS . 1.5 t60 -69.15 -52.07 31.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -43.49 -42.97 5.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.74 -48.17 9.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -56.39 -63.58 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.419 ' O ' ' CE1' ' A' ' 54' ' ' HIS . 0.3 OUTLIER -159.57 139.01 11.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.412 ' HA ' ' CE1' ' A' ' 54' ' ' HIS . 5.7 t -128.3 -61.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 24.2 mmm -128.14 41.78 3.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -110.1 91.03 3.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -172.57 130.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.4 t -125.59 44.14 2.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -113.89 88.92 2.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -50.13 105.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.6 m -78.23 158.67 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -111.61 161.09 16.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.3 m -126.28 129.51 49.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.136 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.472 ' SG ' ' CE ' ' A' ' 86' ' ' MET . 7.4 t -61.73 169.64 2.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.7 t -111.46 -1.05 16.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.473 HG11 ' ND1' ' A' ' 89' ' ' HIS . 95.0 t -115.43 -50.21 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 74' ' ' GLU . 26.5 p -111.85 -6.34 14.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.404 ' N ' ' HB3' ' A' ' 69' ' ' CYS . 53.2 mm-40 63.73 32.82 13.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.599 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 2.4 tp10 -56.35 -179.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.6 p -126.34 127.0 44.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.599 ' CE1' ' HB3' ' A' ' 74' ' ' GLU . 6.4 m-85 -128.47 178.94 5.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.26 -31.42 4.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -122.76 150.86 42.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.444 HH21 HD23 ' A' ' 82' ' ' LEU . 3.5 tpm_? -57.97 -56.54 20.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.446 ' HE2' ' HB2' ' A' ' 83' ' ' ARG . 4.6 tpt -46.04 -53.31 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -40.92 -53.21 2.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.546 HD13 ' CE1' ' A' ' 76' ' ' PHE . 24.7 tp -55.88 -39.7 71.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.446 ' HB2' ' HE2' ' A' ' 80' ' ' MET . 23.9 mmt180 -62.01 -40.12 94.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.2 mt -73.41 -14.69 61.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.406 ' CD2' ' HZ ' ' A' ' 76' ' ' PHE . 21.8 t60 -91.64 -42.9 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.472 ' CE ' ' SG ' ' A' ' 69' ' ' CYS . 0.1 OUTLIER -50.23 -36.79 32.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.406 ' H ' HG13 ' A' ' 87' ' ' VAL . 3.3 m -49.04 -35.53 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.177 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.2 t -62.26 -31.13 71.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.473 ' ND1' HG11 ' A' ' 71' ' ' VAL . 57.9 m-70 -77.58 -32.58 53.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.6 t -107.28 24.15 13.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.08 -61.68 4.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.85 173.72 12.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.452 ' CG ' ' HB3' ' A' ' 103' ' ' GLN . 3.8 mtt -61.05 153.64 65.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 110.874 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -34.87 13.53 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.693 2.262 . . . . 0.0 112.302 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 77.7 m-85 -112.8 148.97 33.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -152.87 145.67 24.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -79.44 -175.84 4.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.2 t -123.19 -44.31 2.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.529 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 1.4 t -70.44 -47.26 61.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.505 ' SG ' ' CG ' ' A' ' 102' ' ' GLN . 20.7 p -103.67 -18.07 14.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.0 m 66.81 36.91 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.505 ' CG ' ' SG ' ' A' ' 100' ' ' CYS . 4.8 mm-40 -68.43 -174.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.452 ' HB3' ' CG ' ' A' ' 93' ' ' MET . 30.4 mt-30 -142.11 140.62 32.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 5.3 m-85 -142.72 161.63 37.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.9 mmt -95.94 -27.76 15.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -117.06 154.66 30.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 80.9 tttt -67.95 -51.27 49.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.8 -38.78 67.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -55.77 -38.44 69.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.3 tp -75.68 -52.27 10.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -48.2 -50.16 30.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -63.31 -40.41 97.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.541 ' CE1' HD12 ' A' ' 117' ' ' LEU . 4.7 t60 -59.72 -40.14 87.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.457 ' O ' ' C ' ' A' ' 118' ' ' HIS . 40.0 mtp -77.66 -28.93 51.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 21.0 mt -77.89 -28.14 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -88.08 -58.1 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.541 HD12 ' CE1' ' A' ' 113' ' ' HIS . 5.6 mt -78.05 -54.66 6.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.529 ' CE1' ' HB3' ' A' ' 99' ' ' SER . 95.1 m-70 -87.28 35.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.2 t -59.42 -47.23 86.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.498 ' C ' ' H ' ' A' ' 122' ' ' SER . . . -45.31 163.77 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.523 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.529 ' O ' ' C ' ' A' ' 122' ' ' SER . 54.0 Cg_endo -69.69 24.74 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.529 ' C ' ' O ' ' A' ' 121' ' ' PRO . 68.8 p -26.52 104.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 71.5 p -47.7 132.51 14.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.121 -0.821 . . . . 0.0 112.498 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_