data_2yug_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 2yug _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.839 0.352 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.5 tt -115.17 129.59 71.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.31 117.49 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.37 -89.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.418 HG13 ' CD1' ' A' ' 14' ' ' TRP . 43.7 pt -134.65 31.1 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 111.095 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.418 ' CD1' HG13 ' A' ' 13' ' ' ILE . 59.1 m95 -134.42 130.61 37.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 51.6 p-90 -127.54 141.39 51.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.14 134.32 50.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.2 m -72.91 163.77 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.1 m -106.33 -38.11 6.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.42 177.67 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' A' ' 72' ' ' SER . 46.3 t80 -58.33 -44.0 88.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.047 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.26 -24.82 38.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.654 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.79 -30.75 22.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.1 mt -72.05 90.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.053 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -150.43 144.46 25.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.11 -162.74 44.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.426 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -60.6 130.59 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.32 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 pt -147.81 164.5 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.404 ' HB3' ' CZ3' ' A' ' 14' ' ' TRP . . . -129.65 142.44 50.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.1 mt -114.27 146.83 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -127.82 116.02 19.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.0 mtt -86.3 -60.11 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.804 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.71 179.98 5.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -80.61 86.52 5.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.07 -30.48 8.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.82 143.48 29.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.834 0.349 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -119.46 159.97 23.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.2 mt -69.78 115.22 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -95.65 160.52 14.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.415 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -118.74 152.31 36.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.071 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.0 mt -119.96 144.78 47.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.95 -34.41 76.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -59.2 -26.5 64.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.989 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.68 30.34 2.03 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.568 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.6 mt -129.26 176.52 7.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.771 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.429 ' CZ ' ' CD2' ' A' ' 84' ' ' LEU . 19.6 m-85 -140.13 132.88 29.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 t -138.37 159.83 41.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.5 tp -70.82 115.74 10.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.76 157.38 52.53 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.406 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.45 143.59 85.56 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.627 0.251 . . . . 0.0 111.056 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.78 166.11 30.88 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.451 2.1 . . . . 0.0 112.326 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -90.94 145.87 24.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.86 -32.6 21.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.19 161.05 21.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -84.39 -41.84 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.57 98.14 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -156.78 151.2 25.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -96.61 158.57 21.51 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.502 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.42 171.55 15.96 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.583 2.188 . . . . 0.0 112.297 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.8 p -80.51 164.56 51.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.504 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 51.5 Cg_exo -53.18 -48.2 23.36 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.499 2.133 . . . . 0.0 112.63 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 60.5 Cg_endo -72.87 -26.3 15.75 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.173 1.915 . . . . 0.0 112.33 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.4 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 9.5 mt-10 -70.57 -31.62 68.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -73.63 156.55 37.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.418 ' CD1' HD11 ' A' ' 84' ' ' LEU . 91.4 m-85 -136.91 147.06 46.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.68 119.62 38.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.36 144.29 25.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.01 120.27 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -69.26 146.53 52.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.804 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.6 mt -133.39 -73.36 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.94 159.03 0.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.09 34.13 21.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.991 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.423 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 3.1 t 60.5 43.64 12.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 -120.84 129.92 53.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.8 pt -118.91 148.62 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.19 126.97 51.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.4 mt -97.97 134.46 41.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -119.0 116.84 27.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.3 p -61.45 152.24 30.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.77 -30.26 68.94 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -62.49 -30.8 71.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.1 35.21 1.14 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.517 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -135.67 171.39 14.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.785 0.326 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -103.06 136.53 42.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.429 ' CD2' ' CZ ' ' A' ' 45' ' ' PHE . 96.0 mt -71.44 98.61 1.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -116.5 129.18 8.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 pt -72.66 132.88 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 111.145 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -76.74 175.63 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m -63.82 -38.83 92.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.61 -31.11 70.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 111.73 28.15 3.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.6 tp -105.4 127.81 53.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -64.32 108.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.068 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.8 m -127.51 164.75 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.147 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.32 96.55 0.2 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.545 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -150.27 63.73 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.798 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.26 135.8 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.84 30.55 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.34 166.77 22.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.2 mt -104.41 79.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -89.81 178.07 43.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -51.19 -49.16 17.99 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.598 2.199 . . . . 0.0 112.321 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 42.3 mtt85 -62.02 -30.91 71.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 26.9 mp0 -74.4 -30.64 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -63.44 144.27 57.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.405 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 94.8 m95 -131.67 166.62 21.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.68 93.82 4.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -68.62 154.11 72.13 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.436 2.091 . . . . 0.0 112.269 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.3 t -128.78 158.79 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.228 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -149.42 108.7 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -136.01 119.35 16.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 59.14 28.85 18.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.93 -28.38 12.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.518 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -62.41 179.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -174.39 148.43 1.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.413 ' HB2' ' CD1' ' A' ' 123' ' ' PHE . . . -157.81 135.58 10.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.6 tp -75.77 105.73 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.57 132.25 35.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.52 172.05 13.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.5 t -70.16 -9.87 57.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.275 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 47.4 p30 -94.08 22.09 6.17 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.242 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 m 56.02 48.09 18.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.891 0.376 . . . . 0.0 111.043 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.3 m -155.6 140.04 16.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.413 ' CD1' ' HB2' ' A' ' 115' ' ' ALA . 32.7 m-85 -69.73 -179.91 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 17.9 pt -135.72 148.65 28.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.232 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -162.23 173.78 13.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 49.5 t -122.2 156.83 32.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -100.84 179.86 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.71 -33.18 73.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.85 -30.63 68.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 112.2 30.98 2.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.465 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -107.1 104.25 13.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 17.4 mt -84.45 110.9 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.11 168.14 19.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -85.46 128.33 34.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.64 173.79 7.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -60.46 173.35 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -59.87 -28.56 67.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 81.1 p -57.93 125.53 23.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -96.63 102.49 14.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.085 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -75.27 176.5 49.88 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -68.08 -40.56 82.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.92 -28.22 60.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.26 -30.03 64.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 32.8 mmt -59.33 122.65 14.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 25.4 pt -109.56 166.22 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -117.28 100.66 7.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 27.6 mt -77.94 126.77 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -123.82 139.41 54.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.5 t -113.89 152.66 30.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 10.3 p -130.45 32.58 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.857 0.361 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.8 tt -163.16 128.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.4 t -121.33 94.11 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.2 -80.62 0.72 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.417 HG13 ' CD1' ' A' ' 14' ' ' TRP . 13.8 pt -140.62 30.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 111.124 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.417 ' CD1' HG13 ' A' ' 13' ' ' ILE . 87.5 m95 -134.28 103.77 5.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -103.89 137.37 41.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 m -66.07 133.6 51.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.6 m -66.46 -179.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -141.23 -47.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -124.57 176.04 6.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.421 ' CE2' ' HA ' ' A' ' 72' ' ' SER . 76.0 t80 -63.12 -30.62 71.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.06 -29.38 72.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.457 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.05 -31.85 73.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.0 mt -75.03 106.0 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.051 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.2 m -161.6 135.71 6.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.95 -141.04 27.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.8 m -72.04 138.85 48.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.4 pt -149.66 179.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.92 142.17 20.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mt -111.69 141.04 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -125.3 117.56 24.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 31.6 mtt -90.72 -49.76 6.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.65 174.76 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -78.39 82.01 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.14 -32.98 5.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.61 133.62 33.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 111.066 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -116.42 174.61 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.2 mt -79.45 114.15 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -97.61 157.94 15.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -118.4 148.0 42.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.8 mt -114.43 155.6 26.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -79.92 -31.65 40.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -59.5 -29.7 68.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.57 35.38 1.0 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.13 172.5 12.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.723 0.297 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.449 ' CZ ' ' CD2' ' A' ' 84' ' ' LEU . 12.1 m-85 -131.18 119.35 21.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 t -122.32 175.88 6.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.5 tp -87.75 111.75 21.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.49 159.08 30.71 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.486 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.41 141.85 88.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.692 0.282 . . . . 0.0 111.049 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.21 155.22 51.88 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.526 2.15 . . . . 0.0 112.331 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -85.31 163.8 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -95.91 -46.09 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.84 146.18 26.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -73.39 -36.12 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -87.09 65.44 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -145.92 127.39 15.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.31 166.08 49.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.53 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.23 163.32 34.77 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.575 2.183 . . . . 0.0 112.274 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.4 m -70.95 163.91 61.03 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.503 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 51.7 Cg_exo -54.32 -47.46 26.8 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.602 2.202 . . . . 0.0 112.679 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 70.8 Cg_endo -74.9 -24.48 13.02 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.248 1.965 . . . . 0.0 112.524 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -70.46 -30.81 67.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -75.58 130.13 38.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -109.68 150.88 27.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.03 129.05 44.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.45 138.61 31.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.03 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -137.01 114.48 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.262 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.69 141.73 55.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.701 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 mt -125.73 -75.79 0.59 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.046 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.6 p 179.91 159.11 0.76 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 57.99 40.25 25.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.421 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 49.8 m 61.26 31.35 19.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 50.0 mmm-85 -108.17 142.11 38.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.402 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 12.2 pt -133.7 146.97 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.06 130.42 53.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.9 mt -93.11 157.81 16.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -141.29 145.41 35.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.7 p -83.04 153.74 24.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.93 -28.54 66.22 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.529 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -73.75 -50.01 22.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 141.6 53.26 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.562 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -147.85 135.89 21.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -73.28 126.86 31.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.449 ' CD2' ' CZ ' ' A' ' 45' ' ' PHE . 90.5 mt -63.41 109.97 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -120.27 152.28 17.02 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.544 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.8 pt -94.46 153.4 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 111.114 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -93.34 179.24 5.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.5 m -75.81 -37.99 58.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.94 -41.39 74.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 131.11 43.49 0.18 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.4 tp -126.39 130.39 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.4 t -78.51 119.51 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.9 m -132.34 179.59 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.42 84.78 0.17 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.447 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -136.52 31.76 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.33 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 m -142.08 130.95 22.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.71 32.09 3.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -127.35 150.97 49.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.9 mt -90.54 89.46 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.92 167.24 15.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.436 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -51.95 -52.47 8.9 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.533 2.155 . . . . 0.0 112.348 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -59.65 -30.89 69.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.96 -29.29 61.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -64.73 165.92 9.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -143.4 151.35 40.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -122.1 89.1 48.5 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.58 152.97 25.17 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.61 2.207 . . . . 0.0 112.201 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -136.44 144.95 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.419 ' CD2' ' HB3' ' A' ' 114' ' ' MET . 38.0 m-85 -145.21 129.72 17.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -148.92 116.48 6.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.52 33.9 20.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.45 -39.26 2.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -61.82 179.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.419 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 1.4 ptt? -169.5 155.25 6.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.39 123.18 5.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.1 tp -70.86 116.4 11.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.4 tp -99.72 118.2 35.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.14 167.03 3.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 t -68.97 -12.2 61.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.334 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 35.8 p30 -95.44 25.47 4.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.658 0.266 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.21 41.23 29.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.994 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 40.0 m -142.1 141.05 32.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.967 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -78.67 132.22 36.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.54 158.75 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 59.6 ttt-85 -170.14 163.55 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 17.3 p -99.34 179.99 4.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -128.35 179.88 5.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -83.34 -43.78 15.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.24 -32.93 69.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 121.26 57.46 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.439 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -139.32 101.65 4.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.807 0.337 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.6 mm -69.66 108.22 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -134.01 169.53 16.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -90.75 146.46 23.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.47 179.95 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.28 162.83 4.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -59.9 -30.95 69.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.65 119.06 6.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -84.06 158.94 21.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.096 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -156.9 -179.91 32.21 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.54 -44.38 90.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.85 -36.94 70.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -64.14 -29.18 70.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.3 mmt -58.28 158.24 7.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 9.3 pt -141.19 173.4 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.65 115.67 13.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 27.6 mt -100.32 147.09 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -138.28 149.92 46.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 46.1 t -119.44 158.72 25.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 14.0 p -121.79 35.47 4.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.788 0.328 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 tt -122.36 134.58 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.71 89.14 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.59 -83.54 0.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 pp -136.67 30.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.424 ' CE2' ' HD2' ' A' ' 58' ' ' PRO . 88.6 m95 -135.47 112.3 10.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.3 p-90 -111.73 142.95 43.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.73 158.08 35.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 m -98.37 169.42 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.149 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.1 -44.99 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -123.56 178.51 5.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.409 ' CZ ' ' HA ' ' A' ' 72' ' ' SER . 25.7 t80 -66.68 -32.5 73.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.67 -28.54 68.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -71.37 -30.36 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 111.008 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.8 mt -70.07 91.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.8 p -156.66 138.19 14.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.57 -134.11 12.4 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.538 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.1 m -92.5 129.0 38.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.9 pt -134.71 169.2 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.43 117.06 11.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.9 mp -90.53 139.11 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -123.29 120.34 32.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.4 mtp -94.17 -51.06 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -100.0 171.3 7.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -76.67 80.97 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.57 -27.57 6.84 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.56 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.96 157.24 20.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -135.03 169.13 17.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.0 mt -77.69 114.69 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -108.9 143.43 38.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -107.63 156.86 18.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.9 mt -114.66 145.41 42.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.15 -33.2 70.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -62.81 -30.26 71.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 129.9 -24.38 4.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.612 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.71 166.61 23.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.754 0.311 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.406 ' CE2' HD22 ' A' ' 84' ' ' LEU . 11.5 m-85 -128.73 123.58 33.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.0 t -118.38 166.8 12.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.4 tp -84.49 112.68 20.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.41 143.89 48.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.84 148.92 74.85 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.668 0.271 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.72 138.21 34.27 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.577 2.184 . . . . 0.0 112.275 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -60.51 163.42 5.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.14 -56.15 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -74.28 163.78 27.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.2 p -83.5 -31.11 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.52 86.44 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -153.52 129.7 10.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.81 164.99 45.3 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.424 ' HD2' ' CE2' ' A' ' 14' ' ' TRP . 53.2 Cg_endo -69.8 150.69 68.3 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.54 2.16 . . . . 0.0 112.329 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.46 162.94 22.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.531 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 59.8 Cg_exo -50.3 -50.61 13.0 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.582 2.188 . . . . 0.0 112.707 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 37.8 Cg_endo -66.41 -25.55 48.66 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.133 1.889 . . . . 0.0 112.19 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 76.7 mt-10 -78.98 -27.73 43.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -71.28 113.46 8.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' A' ' 62' ' ' GLU . 94.8 m-85 -97.53 152.78 18.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.9 m -116.26 119.36 35.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.57 145.41 24.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.92 110.92 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -61.99 153.24 30.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mt -136.46 -65.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.02 151.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.59 34.2 20.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.409 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 3.5 m 60.98 42.33 12.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 -117.33 109.0 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.8 pt -98.66 157.53 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.94 112.58 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.9 mt -76.87 143.44 39.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -131.31 119.69 22.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.3 p -59.61 149.86 29.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.33 -27.89 61.12 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -60.49 -38.69 85.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.2 42.57 0.29 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -145.93 164.56 31.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.899 0.381 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -96.8 140.15 31.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.406 HD22 ' CE2' ' A' ' 45' ' ' PHE . 75.7 mt -74.31 106.98 6.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -117.6 126.96 7.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.522 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.4 pt -72.05 133.56 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 111.096 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -78.37 172.79 13.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t -60.33 -31.58 70.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.06 -35.95 48.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.831 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 118.55 36.31 0.92 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.0 tp -108.27 138.19 44.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.02 103.8 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.05 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.3 m -122.61 176.07 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -155.62 93.05 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.573 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -141.87 35.8 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.807 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.08 160.22 32.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -121.39 31.95 6.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.47 -179.86 7.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -110.83 97.91 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.79 174.39 21.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.545 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.54 -51.25 11.56 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.596 2.198 . . . . 0.0 112.325 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -59.77 -28.9 67.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.41 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 3.0 mp0 -77.28 -25.7 51.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.15 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -57.89 146.85 30.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.114 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.41 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 96.1 m95 -131.09 -179.95 5.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.786 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -161.8 90.16 1.45 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.7 170.21 17.02 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.537 2.158 . . . . 0.0 112.241 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -146.93 156.98 10.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.41 ' CD2' ' HB3' ' A' ' 114' ' ' MET . 83.7 m-85 -149.69 114.37 5.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -145.84 132.94 20.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 57.9 25.26 11.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.99 -29.67 9.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.559 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -67.79 179.3 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 110.976 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.41 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 5.3 ptp -167.21 128.89 1.61 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.31 128.84 30.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.7 tp -78.74 121.16 24.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 21.8 tp -101.94 121.62 42.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.72 170.23 12.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.2 t -73.09 -8.41 55.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.334 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -95.97 25.5 4.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.764 0.316 . . . . 0.0 111.167 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 m 55.51 30.5 15.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.156 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.1 m -140.29 127.35 20.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -60.53 -179.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.2 pp -116.57 156.8 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.3 153.95 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 18.4 p -97.49 174.29 6.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -128.84 179.76 5.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -81.78 -36.76 28.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.89 69.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 115.42 31.52 1.98 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.563 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -120.74 116.02 24.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 30.8 mt -95.36 96.58 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -117.18 167.39 11.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -81.86 130.38 35.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -84.9 171.02 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -63.28 179.28 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -34.14 73.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.54 107.54 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -90.63 132.27 35.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -111.88 -179.99 19.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.535 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.81 -32.25 73.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.83 -31.53 63.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -65.19 -29.49 70.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.008 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.9 mmt -58.35 137.19 57.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 13.1 pt -126.85 168.97 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -121.79 103.16 8.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 23.3 mt -87.83 117.81 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -104.48 169.79 8.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 31.2 t -140.37 152.89 46.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . 0.411 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 26.5 p -136.08 31.36 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.841 0.353 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 tt -151.69 128.07 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.9 99.59 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.79 -83.98 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.418 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.406 HG13 ' CD1' ' A' ' 14' ' ' TRP . 19.8 pt -143.35 30.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 111.136 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.407 ' CE3' ' HB3' ' A' ' 150' ' ' CYS . 61.2 m95 -137.08 130.68 31.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -130.56 134.02 46.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 84.8 m -62.36 123.54 18.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.3 m -65.68 179.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -127.01 -44.87 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -124.63 -178.76 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.418 ' CZ ' HG21 ' A' ' 74' ' ' ILE . 66.7 t80 -72.2 -35.64 68.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.12 -27.34 59.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.588 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.5 -30.14 61.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.1 mt -68.73 97.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 83.8 p -156.91 142.2 17.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.48 -128.6 8.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 m -93.96 136.58 34.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.7 pt -149.34 141.31 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.46 131.83 54.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.1 mt -105.65 127.75 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.112 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -108.79 124.85 51.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.7 mtp -99.64 -48.93 4.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.91 179.97 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.813 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 85.41 4.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.795 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.23 -29.72 10.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.424 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.81 161.13 27.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.997 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -140.41 154.84 46.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.9 mt -62.37 105.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -88.68 152.14 22.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.405 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -112.69 126.05 54.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.9 mt -86.17 174.83 8.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -94.94 -34.9 12.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -60.18 -31.45 70.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.99 40.25 0.42 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.528 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mt -140.91 179.96 6.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.405 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 32.6 m-85 -140.43 119.49 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 t -117.58 161.45 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.19 111.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.93 145.38 43.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.77 134.46 95.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.567 0.223 . . . . 0.0 111.054 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.8 150.5 78.86 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.461 2.107 . . . . 0.0 112.28 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -95.69 132.26 41.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -62.36 -51.21 68.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -72.54 151.77 42.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.6 t -81.1 -30.45 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -95.1 44.41 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -107.88 111.54 23.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.02 161.0 47.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.14 168.99 20.45 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.601 2.201 . . . . 0.0 112.326 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 55.2 m -99.91 163.17 18.92 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.685 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.528 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 78.2 Cg_exo -48.93 -51.04 11.26 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.455 2.103 . . . . 0.0 112.846 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 37.2 Cg_endo -65.57 -25.49 54.94 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.096 1.864 . . . . 0.0 112.223 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -85.51 -31.29 22.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -68.06 155.94 38.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.423 ' CE1' HD12 ' A' ' 84' ' ' LEU . 98.3 m-85 -134.62 163.01 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 m -126.8 134.17 50.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.44 165.19 12.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -151.98 101.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -60.92 119.79 8.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.812 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.5 mt -112.42 -73.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.99 157.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 59.31 33.6 22.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.416 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 14.7 m 60.58 39.04 18.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.72 114.57 22.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.418 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 9.6 pt -105.3 149.75 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.16 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.21 100.82 11.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.7 mt -61.02 160.26 10.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -156.65 118.76 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 64.9 p -67.94 154.99 40.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.61 -30.82 69.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -59.92 -30.61 69.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.58 38.18 1.11 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.45 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -130.34 161.73 30.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -96.6 124.22 40.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.423 HD12 ' CE1' ' A' ' 64' ' ' PHE . 12.2 mt -66.04 120.02 12.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.844 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -135.52 157.6 23.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 pt -111.37 141.71 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -72.5 171.07 13.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.805 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.1 -33.99 72.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.88 -33.27 65.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 123.06 45.67 0.29 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.514 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 tp -125.35 120.32 30.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.6 t -73.03 109.38 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.7 m -134.54 139.97 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.063 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -110.65 90.17 0.57 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -158.44 45.09 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.3 t -112.2 -37.57 4.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 60.97 33.92 19.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -160.45 165.2 31.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.073 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.3 mt -95.86 84.32 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.27 166.71 24.53 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.566 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.46 -36.63 70.66 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.557 2.171 . . . . 0.0 112.314 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -74.31 -31.07 62.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.411 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 8.5 mp0 -65.38 -30.07 70.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.99 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -64.97 141.08 58.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.411 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 86.7 m95 -124.75 143.76 50.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -114.87 91.79 27.64 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.008 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.53 125.26 12.55 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.47 2.114 . . . . 0.0 112.215 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 19.1 t -97.13 159.79 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -146.53 125.03 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.81 117.29 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.97 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 57.67 34.42 24.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.035 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.06 -38.94 2.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -58.36 176.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 6.0 ptp -160.29 152.76 20.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -151.57 128.28 10.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.3 tp -77.56 112.97 14.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.0 tp -98.48 132.2 44.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.07 168.05 20.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 44.2 t -66.76 -13.8 61.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.224 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 34.5 p30 -94.44 22.53 6.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.246 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.3 m 55.12 33.77 21.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.847 0.356 . . . . 0.0 111.051 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 56.7 m -130.95 130.99 44.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.411 ' CE2' ' HB3' ' A' ' 139' ' ' ALA . 22.4 m-85 -65.65 -179.98 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 14.9 pt -126.71 162.57 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -176.47 143.91 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 26.4 p -85.83 147.76 26.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -94.14 171.81 8.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -31.28 72.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.33 -34.79 21.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.065 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 135.24 -23.88 3.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.644 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -57.01 109.01 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.789 0.328 . . . . 0.0 110.984 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.7 mt -88.38 119.67 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -128.79 175.11 8.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -101.29 115.74 31.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.43 167.43 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -59.49 178.34 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -59.05 -24.92 63.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 12.1 p -55.03 107.18 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.411 ' HB3' ' CE2' ' A' ' 123' ' ' PHE . . . -87.11 112.7 22.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -94.93 178.44 36.14 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.558 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.63 -37.68 88.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.34 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -73.55 -31.49 63.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.19 -31.05 69.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 29.8 mmt -59.68 116.83 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 4.3 pt -110.07 169.86 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -130.39 94.32 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 19.6 mt -75.37 118.35 21.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.135 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -108.64 154.75 21.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 10.7 t -132.44 134.32 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . 0.407 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 26.7 p -99.62 36.67 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.825 0.345 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 tt -120.93 130.09 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.0 t -120.69 88.86 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.06 -81.1 0.25 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.9 pt -133.01 31.11 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.354 . . . . 0.0 111.102 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -135.8 116.37 13.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 51.1 p-90 -114.85 139.24 49.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.4 m -64.19 128.86 37.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.4 m -63.55 164.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.39 -31.99 7.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -162.04 -178.74 6.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.427 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 22.0 t80 -57.84 -40.24 79.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.09 -26.04 41.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.663 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -84.65 -31.04 24.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.436 HD11 HG22 ' A' ' 23' ' ' ILE . 36.5 mt -74.26 105.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.048 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.1 t -172.75 93.15 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.61 -158.83 22.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.3 m -66.37 117.2 8.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.722 0.296 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 pp -139.48 163.51 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.04 162.61 24.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.8 mp -132.48 128.13 57.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -108.84 111.85 23.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 6.8 mtt -86.52 -46.26 10.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.63 178.89 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -88.41 80.15 7.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.54 -27.39 6.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.488 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.35 167.5 11.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.845 0.355 . . . . 0.0 111.074 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -141.43 169.95 16.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.7 mt -75.29 118.23 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -106.66 151.24 25.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.38 167.26 10.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.0 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.4 mt -135.48 145.09 46.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -65.15 -31.33 72.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -60.01 -31.77 70.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.08 36.39 0.95 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.521 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.5 mt -140.69 158.78 43.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -119.59 125.67 49.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.4 t -124.07 167.09 14.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.2 tp -79.7 110.11 14.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.66 173.35 4.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.15 140.52 49.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.656 0.265 . . . . 0.0 111.053 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.61 126.6 11.62 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.494 2.129 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -61.82 158.74 15.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.95 -64.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -76.08 157.97 32.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -76.57 -54.51 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.37 77.06 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -140.95 134.09 29.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.25 148.91 28.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.42 158.9 55.69 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.661 2.241 . . . . 0.0 112.418 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.426 ' HB3' ' HD2' ' A' ' 61' ' ' PRO . 0.3 OUTLIER -72.57 159.46 85.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.523 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 58.0 Cg_exo -49.96 -52.07 9.62 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.456 2.104 . . . . 0.0 112.776 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 35.9 Cg_endo -64.66 -24.94 62.0 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.18 1.92 . . . . 0.0 112.282 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -77.1 -31.72 56.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -66.3 137.27 56.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.415 ' CE1' HD12 ' A' ' 84' ' ' LEU . 77.7 m-85 -118.27 161.96 19.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.23 124.35 48.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.06 130.91 53.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.2 t -127.74 136.75 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -72.11 154.75 40.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.4 mt -138.06 -75.2 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.4 p 179.93 150.51 0.37 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.34 38.34 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.029 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.421 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER 62.01 35.35 16.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -112.67 120.76 42.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.427 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 16.4 pt -112.36 150.13 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.93 128.25 54.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.031 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.0 mt -94.82 156.71 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -147.84 134.14 19.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.789 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.3 p -70.87 160.99 31.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.987 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.63 -28.59 72.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -64.78 -42.64 94.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.06 42.82 0.21 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.544 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -137.86 137.61 38.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -78.49 129.52 34.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.415 HD12 ' CE1' ' A' ' 64' ' ' PHE . 85.1 mt -64.64 106.37 1.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -115.08 139.62 15.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.6 pt -85.51 156.82 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 111.125 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -108.0 166.63 10.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 p -62.37 -38.95 91.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.02 -31.53 72.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 112.39 28.54 3.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.549 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tp -106.39 138.18 43.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -83.23 110.45 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.4 m -128.49 163.15 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.45 80.25 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -132.56 35.81 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -139.28 131.84 28.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -98.96 31.48 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -121.06 -175.52 3.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.2 mt -131.74 84.09 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.172 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.95 -160.29 21.7 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 -42.22 3.68 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.577 2.185 . . . . 0.0 112.378 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.72 -32.82 74.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.402 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 12.3 mp0 -73.74 -27.73 61.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.974 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -62.98 167.25 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.016 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.402 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 86.3 m95 -150.92 168.54 24.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -144.4 93.76 5.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.22 147.6 66.7 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.521 2.147 . . . . 0.0 112.232 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.0 t -132.72 150.19 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.17 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -127.4 139.19 53.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.773 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -149.96 104.66 3.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 58.35 42.9 20.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.37 -44.32 2.46 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.457 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -58.76 172.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.82 146.66 23.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -143.04 124.42 14.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 40.8 tp -76.45 105.19 7.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.0 tp -88.05 129.7 35.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.82 163.85 27.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.4 t -66.26 -15.42 63.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.27 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -95.95 26.3 4.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.704 0.288 . . . . 0.0 111.174 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.1 p 55.83 44.76 25.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 111.05 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 91.1 m -137.83 133.28 33.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -81.73 122.74 28.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.2 pt -61.91 159.79 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -171.27 174.29 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.0 p -115.14 165.95 12.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -126.03 152.98 45.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.04 -31.36 69.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.59 -42.77 61.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.084 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 127.67 44.65 0.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -130.19 118.43 21.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 29.9 mm -92.05 99.29 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -123.32 173.75 7.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -96.95 130.83 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.44 -179.9 5.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.787 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.23 172.55 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -60.66 -31.86 71.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 14.3 p -59.82 115.45 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -94.75 111.62 23.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -90.43 174.6 40.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -60.14 -33.07 71.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -76.56 -37.11 57.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -61.61 -29.5 70.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 37.6 mmt -58.53 132.66 54.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 9.0 pt -119.28 179.98 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -136.57 101.88 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 20.7 mt -83.84 134.75 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.176 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 31.1 mtt-85 -130.49 133.14 46.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 38.6 t -98.3 165.03 12.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 26.3 p -121.74 31.63 6.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 t0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.781 0.324 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 tt -113.17 129.31 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.2 101.12 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.8 -79.92 0.25 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.414 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.1 pp -143.2 30.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 111.082 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.414 ' CD1' HG13 ' A' ' 13' ' ' ILE . 34.3 m95 -135.07 136.92 42.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -117.73 117.58 29.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.3 m -60.02 134.48 57.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 m -83.51 169.02 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.8 t -126.89 -45.22 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -112.1 176.14 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.418 ' CE2' ' HE3' ' A' ' 68' ' ' LYS . 79.3 t80 -71.83 -31.74 66.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.67 -28.05 62.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.556 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -70.96 -28.93 64.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.723 0.297 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.5 mm -60.3 103.32 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 p -171.69 140.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.53 -163.51 48.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.519 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.0 m -69.83 130.15 41.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.753 0.311 . . . . 0.0 110.81 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.6 pp -144.68 153.18 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.87 147.0 40.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.043 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.0 mp -119.9 112.16 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.417 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 27.7 tt0 -93.89 118.83 31.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.5 mtt -84.51 -63.43 1.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.94 175.43 6.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -74.05 81.68 1.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.05 -27.85 7.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.467 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.06 140.98 29.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.731 0.301 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.417 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 43.7 m-85 -126.8 159.59 33.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.809 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.8 mt -70.47 107.56 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -90.87 143.81 26.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.402 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -98.51 145.19 27.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.111 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.7 mt -120.86 136.05 55.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.36 -29.52 69.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -57.45 -27.39 62.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.056 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.25 30.79 2.0 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 mt -137.89 -179.94 6.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.409 ' CE2' HD23 ' A' ' 84' ' ' LEU . 29.0 m-85 -141.75 129.73 21.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.9 t -135.47 161.62 34.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.6 tp -72.11 110.83 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.038 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.82 162.24 16.58 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.458 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.27 143.2 98.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.643 0.258 . . . . 0.0 111.132 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.44 146.5 44.79 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.59 2.193 . . . . 0.0 112.277 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -80.08 158.96 26.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -74.49 -48.47 27.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -98.69 133.88 42.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.78 -49.72 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -74.1 68.72 1.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -143.61 146.1 33.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.95 152.99 32.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.466 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.71 154.99 70.27 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.566 2.178 . . . . 0.0 112.372 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.55 159.66 66.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.56 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 76.8 Cg_exo -49.18 -49.56 15.07 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.641 2.227 . . . . 0.0 112.793 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 36.2 Cg_endo -65.49 -22.86 58.42 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.136 1.891 . . . . 0.0 112.277 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -83.63 -31.06 26.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.863 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -65.24 114.58 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.417 ' CE1' HD13 ' A' ' 84' ' ' LEU . 89.5 m-85 -101.36 173.08 6.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.74 136.98 52.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.11 144.95 31.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.8 110.33 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.418 ' HE3' ' CE2' ' A' ' 20' ' ' PHE . 7.9 mtpt -69.5 109.38 4.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.5 mt -90.94 -69.82 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.01 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.7 m 179.93 162.34 0.98 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 58.18 36.91 26.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.416 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 0.1 OUTLIER 60.75 32.74 20.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -114.8 130.08 56.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.9 pt -109.88 165.94 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.189 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.01 106.78 11.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.9 mt -74.12 141.65 45.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -139.77 129.12 24.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.15 160.77 30.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.65 -29.3 71.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.513 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -62.22 -30.43 71.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.706 0.289 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.03 31.21 2.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -125.83 149.05 48.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -88.98 133.85 34.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.417 HD13 ' CE1' ' A' ' 64' ' ' PHE . 20.1 mt -69.87 147.86 49.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.17 159.56 32.41 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.565 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.3 pt -105.97 144.41 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 111.155 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -80.87 178.65 8.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -66.02 -30.95 71.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.5 -39.19 47.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 141.04 -20.74 2.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.633 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.13 143.8 37.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 0.0 111.029 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.0 t -98.44 111.4 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.057 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.2 m -120.4 176.82 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -145.51 86.96 0.17 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.07 54.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.924 0.393 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.2 t -116.96 -39.91 3.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 61.53 31.76 18.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -167.29 168.93 12.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.045 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.6 mt -89.28 131.95 35.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.77 164.92 28.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.82 -45.48 40.36 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.565 2.177 . . . . 0.0 112.316 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -73.35 -41.34 63.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.401 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 0.7 OUTLIER -59.83 -29.66 68.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.982 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -63.05 165.48 6.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.419 ' CE3' ' HA ' ' A' ' 118' ' ' ALA . 81.7 m95 -143.77 179.61 7.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -160.95 94.04 1.47 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.98 141.39 44.2 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.434 2.089 . . . . 0.0 112.243 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.94 127.45 74.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.406 ' CD2' ' HB3' ' A' ' 114' ' ' MET . 5.3 m-85 -116.1 125.97 53.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.05 131.44 14.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.35 45.3 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 62.91 28.13 71.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -125.05 -179.94 4.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.791 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.406 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 2.4 ptp -153.49 156.25 37.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -167.55 112.08 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.7 tp -63.79 128.5 36.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.401 HD13 ' CD1' ' A' ' 123' ' ' PHE . 16.0 tp -110.73 125.09 53.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.419 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -68.78 168.53 13.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.5 t -68.56 -12.25 61.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.244 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -94.92 24.01 5.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.167 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 55.55 30.92 16.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.829 0.347 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 7.2 m -133.02 126.57 32.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.401 ' CD1' HD13 ' A' ' 117' ' ' LEU . 68.1 m-85 -60.59 176.73 0.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 12.3 pt -102.87 156.78 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -163.09 155.84 18.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 7.2 p -110.21 126.54 54.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -75.39 165.13 25.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.45 -31.44 53.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.42 -39.09 65.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.032 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 129.9 55.14 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -149.13 117.25 6.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 28.8 mm -81.17 104.15 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.147 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.72 175.16 5.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -96.81 136.99 36.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.91 164.24 12.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.771 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -55.55 172.53 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.01 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -59.3 -46.93 87.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 61.8 p -60.52 99.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -86.29 119.14 26.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.045 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -71.84 176.76 39.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -64.2 -35.79 81.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -83.44 -27.06 29.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -28.07 54.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.019 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.5 mmt -58.01 154.28 12.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 22.1 pt -135.26 177.5 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -131.82 114.55 14.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 3.3 mt -96.99 113.75 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.103 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -103.17 145.34 30.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 41.5 t -119.0 153.44 34.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 11.6 p -126.51 35.8 4.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.854 0.359 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.0 tt -133.4 125.72 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.56 95.38 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.129 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.45 -69.85 0.52 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.531 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.411 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.8 pt -149.45 30.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.373 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.414 ' CE3' ' HB3' ' A' ' 150' ' ' CYS . 84.8 m95 -135.65 103.29 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 57.2 p-90 -100.4 129.85 46.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.5 m -68.64 133.08 47.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.969 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 m -72.4 152.35 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -111.2 -32.88 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -122.46 -178.4 3.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.421 ' CZ ' HG21 ' A' ' 74' ' ' ILE . 28.7 t80 -80.54 -33.85 35.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.88 -28.07 72.17 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.539 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.47 -34.12 69.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.1 mt -71.07 106.41 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -168.44 130.6 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.45 -156.4 28.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.3 m -60.16 132.83 55.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 pt -144.73 174.51 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.41 111.32 6.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mt -88.63 158.39 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.037 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -143.18 103.38 4.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 15.7 mtt -69.21 -75.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.52 179.97 6.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -77.82 80.36 4.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.44 -28.17 7.64 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.8 145.38 36.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.785 0.326 . . . . 0.0 111.172 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -123.12 167.3 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.5 mt -84.29 112.12 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -93.63 150.72 20.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -107.59 146.4 31.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.9 mt -114.33 151.26 33.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -74.08 -34.44 64.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -59.65 -30.33 68.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.48 37.77 0.71 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.528 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mt -140.82 179.99 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.416 ' CZ ' HD23 ' A' ' 84' ' ' LEU . 42.6 m-85 -140.55 137.9 34.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.9 t -135.75 161.15 36.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.4 tp -68.56 124.91 24.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.56 155.36 39.42 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.01 114.07 16.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.547 0.213 . . . . 0.0 111.076 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_exo -51.37 177.04 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.438 2.092 . . . . 0.0 112.42 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -110.42 144.61 38.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -71.83 -54.32 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.49 147.37 49.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.67 -34.99 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -108.29 92.38 4.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.58 131.35 21.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.26 147.61 25.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.426 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.49 157.6 58.49 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.542 2.161 . . . . 0.0 112.398 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.0 m -80.3 162.95 59.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.681 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.491 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 41.8 Cg_exo -55.27 -45.89 36.85 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.495 2.13 . . . . 0.0 112.639 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 60' ' ' PRO . 50.7 Cg_exo -52.22 -27.53 30.53 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.537 2.158 . . . . 0.0 112.331 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.422 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 8.3 mt-10 -91.03 -23.78 20.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -64.27 116.0 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 111.015 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.422 ' CD2' ' O ' ' A' ' 62' ' ' GLU . 95.4 m-85 -104.44 -179.98 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.89 120.71 16.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.77 153.02 18.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.9 130.13 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -70.72 146.96 49.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.5 mt -134.56 -72.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.7 p 179.93 153.63 0.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.06 37.37 26.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.986 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m 61.21 31.11 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mmm-85 -106.99 112.82 25.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.421 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 4.4 pt -102.48 158.15 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.19 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.68 122.78 47.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.406 HD11 ' CD1' ' A' ' 105' ' ' TRP . 15.8 mt -88.22 154.34 20.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.0 129.26 23.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.407 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . 99.1 p -65.15 150.44 48.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.31 -26.65 56.77 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.608 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -68.96 -38.18 79.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 140.31 -15.97 2.96 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.708 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -81.24 173.5 12.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.806 0.336 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -109.81 143.02 40.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.416 HD23 ' CZ ' ' A' ' 45' ' ' PHE . 35.2 mt -76.69 115.32 16.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.831 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.73 121.66 2.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.551 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 pp -70.28 121.54 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.34 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.64 174.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.8 -39.85 63.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.5 -29.49 67.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 115.8 30.81 2.07 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.55 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.4 tp -116.77 129.65 56.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.33 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.2 t -75.73 115.86 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.3 m -135.6 -179.93 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.52 99.01 0.18 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.559 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -149.7 49.12 0.94 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 m -145.44 143.78 30.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.976 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.59 31.4 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -144.47 161.4 39.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.8 mt -94.99 96.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -93.63 163.45 26.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.449 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.5 -41.12 69.85 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.59 2.193 . . . . 0.0 112.26 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.0 mtt-85 -67.45 -29.69 69.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.001 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.47 -27.75 64.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -58.67 135.64 57.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.406 ' CD1' HD11 ' A' ' 76' ' ' LEU . 86.0 m95 -120.77 136.92 54.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -110.19 93.22 14.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.043 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.0 165.09 32.42 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.446 2.097 . . . . 0.0 112.201 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -150.1 151.72 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.226 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -129.96 119.17 22.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -138.22 115.82 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 59.33 29.81 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.08 -35.73 4.21 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.547 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -69.51 -179.99 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.745 0.307 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.2 ptp -163.79 156.79 18.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.417 ' HB3' ' CE1' ' A' ' 123' ' ' PHE . . . -151.43 120.5 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.066 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.85 122.8 19.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.9 tp -105.9 123.24 47.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.47 165.24 6.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.039 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.6 t -69.68 -13.05 62.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.371 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 40.7 p30 -96.25 26.43 4.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.758 0.313 . . . . 0.0 111.186 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.5 m 55.97 47.2 20.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.03 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 74.7 m -147.63 123.44 10.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.417 ' CE1' ' HB3' ' A' ' 115' ' ' ALA . 53.2 m-85 -66.17 152.63 44.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 39.6 pt -80.17 158.42 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -173.64 143.57 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 30.4 p -103.66 153.1 21.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -95.6 161.99 13.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -31.28 66.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.931 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.51 -49.97 13.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 144.08 62.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -154.63 107.16 2.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.6 mt -87.12 113.38 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.2 167.39 16.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.98 101.44 6.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.05 173.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.97 168.79 1.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -61.76 -31.31 71.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 20.5 p -67.63 115.97 7.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -95.87 108.94 21.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.57 176.99 44.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -60.41 -50.34 73.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -67.45 -29.28 68.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.041 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -30.22 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.9 mmt -59.99 116.14 3.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 45.5 pt -98.93 172.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.186 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -129.88 108.39 10.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 25.3 mt -84.61 121.74 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 10.4 mtt-85 -102.04 175.52 5.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 44.7 t -152.61 150.29 29.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . 0.414 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 28.5 p -126.32 34.95 4.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.842 0.353 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.1 tt -99.91 128.4 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -121.93 97.97 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.53 -90.18 0.94 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.388 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.428 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.2 pt -132.51 31.19 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 111.066 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.428 ' CD1' HG13 ' A' ' 13' ' ' ILE . 64.9 m95 -138.56 121.3 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 48.7 p-90 -117.66 139.06 51.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.67 128.02 34.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 m -65.39 164.16 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.4 t -104.23 -38.59 6.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -149.56 179.28 8.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.417 ' CZ ' ' HA ' ' A' ' 72' ' ' SER . 81.0 t80 -58.16 -43.2 87.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.051 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.54 -24.52 39.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.632 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -81.43 -29.87 33.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.4 mt -68.92 102.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 m -160.84 116.75 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.66 -155.36 17.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 m -69.14 125.55 27.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.344 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.3 pt -140.76 159.15 24.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.0 151.18 49.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.6 mt -112.71 141.96 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -133.35 105.0 6.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.9 mtp -75.58 -60.73 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.95 163.4 14.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -73.61 82.44 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.5 -29.6 5.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.5 153.96 20.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -136.66 160.48 38.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.9 mt -73.53 107.78 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -87.46 154.79 20.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -110.38 155.57 21.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.9 mt -130.6 131.81 45.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -60.03 -30.25 69.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -57.87 -28.36 64.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.38 32.94 1.4 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 mt -141.69 166.79 23.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.419 ' CE2' ' CD2' ' A' ' 84' ' ' LEU . 14.7 m-85 -129.54 123.04 30.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.9 t -116.22 171.7 7.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.0 tp -89.22 111.25 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.82 137.63 39.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.5 150.56 73.58 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.707 0.289 . . . . 0.0 111.087 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.06 137.25 40.37 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.613 2.209 . . . . 0.0 112.311 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -60.4 163.77 4.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -78.57 -34.44 46.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -91.28 161.8 14.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.78 -65.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -79.8 88.81 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.34 161.13 38.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -108.01 168.51 13.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.91 170.5 15.41 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.583 2.189 . . . . 0.0 112.359 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.38 168.32 11.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.518 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 50.9 Cg_exo -52.32 -48.64 20.76 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.602 2.202 . . . . 0.0 112.693 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 57.0 Cg_endo -70.88 -19.6 30.57 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.25 1.966 . . . . 0.0 112.435 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -86.1 -29.56 23.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.006 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -58.76 145.68 39.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.414 ' CE1' HD12 ' A' ' 84' ' ' LEU . 56.4 m-85 -133.18 159.91 38.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.1 m -120.98 130.49 53.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.43 142.69 27.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -137.83 114.02 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.19 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -67.26 135.04 52.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.8 mt -122.9 -72.21 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.81 154.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 t0 55.58 42.57 29.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.417 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 0.7 OUTLIER 59.98 29.88 19.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -105.18 120.9 42.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.9 pt -120.12 143.16 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -108.1 120.98 43.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.6 mt -75.03 173.09 11.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -154.57 117.52 4.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.9 p -62.97 146.59 52.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.34 -28.09 61.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.572 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -63.99 -39.03 93.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.325 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.47 43.26 0.25 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.521 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -139.75 176.51 8.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -111.02 131.93 54.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.419 ' CD2' ' CE2' ' A' ' 45' ' ' PHE . 82.3 mt -75.72 111.72 11.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.49 127.0 3.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 pp -63.65 162.46 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -101.31 172.42 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.1 p -62.52 -33.35 74.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.43 -45.54 53.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 128.57 42.34 0.25 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.551 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.8 tp -122.13 121.47 36.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.93 101.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.6 m -116.16 176.19 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.402 ' HA3' ' CE1' ' A' ' 45' ' ' PHE . . . -147.68 97.32 0.18 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.541 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.73 86.02 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -177.03 111.5 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -62.89 -31.64 72.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.83 176.14 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.9 mt -107.37 86.81 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -77.6 166.84 53.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.68 -42.4 62.8 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.551 2.167 . . . . 0.0 112.342 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -64.39 -31.25 72.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 26.7 mp0 -70.11 -28.66 65.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -62.88 146.31 53.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.005 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 83.0 m95 -130.14 -179.92 5.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -155.45 90.65 2.88 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.34 155.55 9.37 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.568 2.179 . . . . 0.0 112.206 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.15 157.03 22.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -143.91 116.79 8.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -129.14 105.39 8.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 59.69 39.66 20.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.27 -40.91 2.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.435 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -61.59 -180.0 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.742 0.306 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 2.9 ptp -158.89 141.97 14.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.414 ' HB3' ' CE1' ' A' ' 123' ' ' PHE . . . -140.45 121.51 14.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.068 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.48 119.01 19.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.7 tp -100.93 131.26 46.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.22 168.01 20.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.6 t -64.38 -15.38 60.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.189 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 41.7 p30 -95.24 23.88 5.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.207 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.9 43.36 30.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.174 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.6 m -145.11 121.92 11.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.414 ' CE1' ' HB3' ' A' ' 115' ' ' ALA . 65.7 m-85 -59.48 173.05 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 24.3 pt -107.9 145.27 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.227 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 34.7 ttt-85 -160.41 131.46 5.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 22.3 p -87.2 161.49 18.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -109.37 152.58 25.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.69 -29.97 67.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.5 -36.75 76.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 138.06 -21.44 3.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.594 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.47 149.78 45.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 0.0 110.941 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 30.9 mt -128.67 108.47 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.39 171.16 8.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -88.2 131.73 34.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.47 170.65 15.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.95 -179.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -60.29 -31.43 70.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.1 p -69.5 130.51 42.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.414 ' HB3' ' CE2' ' A' ' 123' ' ' PHE . . . -108.54 107.19 17.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.64 174.74 47.86 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.69 -32.66 74.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.69 -30.88 20.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.978 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -26.75 64.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.3 mmt -57.1 163.05 2.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.899 0.38 . . . . 0.0 110.966 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 2.4 pt -133.38 179.52 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -136.89 100.72 4.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 21.4 mt -84.17 113.56 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -107.35 142.98 36.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.7 t -117.66 146.36 43.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . 0.411 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 29.1 p -107.97 33.33 4.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.772 0.32 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 tt -128.47 124.01 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.6 t -122.34 104.73 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.046 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.27 -77.6 0.12 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 pt -145.85 30.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -132.42 123.17 26.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -124.18 140.79 52.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 m -74.38 141.9 45.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -82.17 173.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.84 -44.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -128.18 166.99 17.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 72' ' ' SER . 78.9 t80 -61.58 -35.56 78.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.75 -26.06 53.01 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -89.1 -28.4 20.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.731 0.301 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 54.0 mt -65.42 106.68 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.0 t -172.48 144.67 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.7 -148.41 19.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -86.33 114.43 23.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.4 pt -129.01 139.53 51.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.32 154.62 18.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.3 mp -128.34 130.45 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 16.3 tt0 -115.96 115.93 27.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 19.1 mtt -84.59 -60.86 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.02 175.91 7.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.04 80.98 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.82 -32.22 6.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.543 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.4 134.25 34.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.848 0.356 . . . . 0.0 111.074 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 50.3 m-85 -111.6 177.02 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.6 mt -79.96 121.38 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -105.67 133.54 50.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.409 ' HA ' ' CD2' ' A' ' 45' ' ' PHE . . . -85.14 135.37 34.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.9 mt -100.18 179.28 4.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -105.54 -10.18 17.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.41 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -97.0 30.03 2.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.758 0.313 . . . . 0.0 111.039 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.7 34.07 87.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.568 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.6 mt -134.3 179.8 6.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.728 0.299 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.409 ' CD2' ' HA ' ' A' ' 39' ' ' ALA . 31.0 m-85 -147.04 111.0 5.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t -104.16 174.23 5.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.7 tp -80.46 111.53 16.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.7 150.91 41.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.442 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.92 137.62 90.62 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.634 0.254 . . . . 0.0 111.026 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.83 128.37 14.96 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.506 2.137 . . . . 0.0 112.249 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -60.46 169.97 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 ptt85 -103.0 -41.19 6.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -79.72 130.84 35.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.96 -41.66 86.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.74 73.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.958 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.37 156.01 42.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -96.88 157.43 21.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.89 152.38 73.64 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.617 2.211 . . . . 0.0 112.302 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -68.06 168.81 11.74 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.485 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 48.8 Cg_exo -54.92 -47.84 24.44 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.612 2.208 . . . . 0.0 112.622 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 73.7 Cg_endo -75.87 -26.86 9.16 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.195 1.93 . . . . 0.0 112.337 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -69.1 -31.6 70.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -72.47 123.52 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -112.31 149.0 33.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.36 120.23 41.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.06 145.57 25.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.036 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.03 107.82 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.407 ' HE3' ' CE2' ' A' ' 20' ' ' PHE . 25.1 mtpt -59.87 146.3 42.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.1 mt -129.73 -68.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.3 m -178.89 154.94 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 t0 59.81 37.08 22.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 10.9 m 60.3 51.88 5.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.4 mmm-85 -128.61 137.01 51.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.1 pt -123.25 151.45 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.32 103.71 12.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.12 152.39 44.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -138.41 120.25 15.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.3 p -61.16 152.31 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.39 -28.89 67.94 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.401 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 10.7 m-85 -63.02 -31.26 72.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.87 36.51 0.96 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.584 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -131.61 161.75 31.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -95.38 124.9 39.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.4 mt -59.58 114.97 2.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -124.61 157.05 18.84 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 21.4 pt -109.92 136.55 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 111.159 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -74.46 164.4 26.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -69.11 -31.23 69.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.76 -31.47 68.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 118.28 38.62 0.79 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.541 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.8 tp -128.49 120.2 26.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.0 t -62.98 117.24 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.054 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.8 m -142.6 131.59 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -101.91 104.96 2.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.527 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -172.64 63.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.942 0.401 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.5 t -123.27 -39.54 2.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.042 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 66.35 31.62 8.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.72 142.51 0.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.4 mt -68.0 96.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.077 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -103.85 169.96 18.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.07 -51.78 9.43 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.574 2.182 . . . . 0.0 112.323 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.0 mtt85 -61.39 -33.72 74.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -62.6 -27.84 69.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -60.96 143.47 55.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -125.92 159.36 32.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.77 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -135.87 97.47 12.47 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.019 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.86 143.88 51.71 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.473 2.115 . . . . 0.0 112.215 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.5 148.59 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.202 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.409 ' CE2' ' HB3' ' A' ' 114' ' ' MET . 36.4 m-85 -125.02 128.96 49.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.79 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.95 122.89 15.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 59.41 30.63 20.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.83 -36.86 3.63 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -61.37 -179.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.409 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 10.1 ptp -151.04 145.74 25.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.49 157.88 43.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.6 tp -111.08 100.47 9.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.981 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.8 tp -79.13 131.38 36.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.01 169.72 17.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.5 t -71.7 -9.48 58.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -95.75 24.75 5.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.645 0.259 . . . . 0.0 111.198 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.7 p 54.36 32.53 16.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.812 0.339 . . . . 0.0 111.112 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 95.3 m -133.66 139.66 46.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.407 ' CE2' ' HB1' ' A' ' 139' ' ' ALA . 23.2 m-85 -77.49 151.05 34.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.2 pt -89.18 158.25 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -177.17 158.86 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 14.8 p -102.94 179.05 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -130.22 152.19 49.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.31 -31.62 70.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.815 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.85 -31.24 66.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.073 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 117.28 50.19 0.39 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -145.37 137.44 25.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 31.8 mt -108.74 122.16 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -142.32 170.92 14.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -74.41 176.92 6.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.8 167.84 27.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -57.09 165.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -58.96 -30.58 68.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.2 p -62.75 101.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.407 ' HB1' ' CE2' ' A' ' 123' ' ' PHE . . . -86.45 118.49 25.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -88.18 179.67 46.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.554 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -68.26 -31.15 70.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.784 0.326 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -80.43 -36.07 34.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -30.43 69.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 23.8 mmt -59.07 134.43 56.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 3.9 pt -109.28 178.0 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -129.31 98.41 4.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 22.8 mt -80.52 105.37 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -98.08 138.84 34.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.7 t -112.45 149.42 32.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 26.4 p -131.1 35.99 3.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.109 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.801 0.334 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.7 tt -79.3 118.79 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.057 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.3 106.76 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.89 -83.59 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.411 HG13 ' CD1' ' A' ' 14' ' ' TRP . 0.9 OUTLIER -141.09 31.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 111.053 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.411 ' CD1' HG13 ' A' ' 13' ' ' ILE . 49.0 m95 -136.9 117.38 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.2 p-90 -103.2 128.65 50.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.5 m -60.25 137.07 58.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 m -76.57 167.94 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.229 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.2 m -119.02 -41.03 2.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.952 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -134.49 175.01 9.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.426 ' CZ ' HG21 ' A' ' 74' ' ' ILE . 60.3 t80 -58.97 -44.53 91.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.04 -26.79 49.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.681 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -70.37 -38.83 74.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.401 HD11 HG21 ' A' ' 23' ' ' ILE . 39.9 mt -73.36 116.73 16.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.46 115.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.98 -156.34 19.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 m -60.57 114.47 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.6 pt -127.43 166.34 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.5 137.64 48.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.081 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.2 mt -108.3 143.82 17.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -131.4 115.53 16.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.5 mtt -93.12 -45.5 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -107.13 171.06 7.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -78.74 85.78 4.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.25 -30.68 6.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.529 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.11 145.13 26.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 111.02 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -124.83 169.06 12.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.1 mt -74.77 113.84 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.17 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -102.1 147.49 26.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.419 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -115.92 140.39 49.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.6 mt -98.12 156.15 16.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -65.94 -31.81 72.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -66.87 -31.2 71.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.13 -25.47 4.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.591 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.8 mt -71.4 170.32 13.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.419 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 20.6 m-85 -134.04 146.56 50.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -145.03 152.85 40.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 37.7 tp -64.08 108.84 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.32 174.04 5.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.66 150.38 40.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.734 0.302 . . . . 0.0 111.08 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.9 158.05 58.08 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.471 2.114 . . . . 0.0 112.298 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -90.07 160.06 16.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -62.64 1.5 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -68.48 161.46 27.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.4 p -86.27 -31.7 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -109.77 86.58 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -148.11 139.08 23.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.87 160.29 51.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.422 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.84 177.68 5.39 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.514 2.142 . . . . 0.0 112.298 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.18 171.15 6.88 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.539 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 64.3 Cg_exo -50.21 -50.3 13.85 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.567 2.178 . . . . 0.0 112.77 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 37.5 Cg_endo -65.93 -24.88 52.82 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.124 1.883 . . . . 0.0 112.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.405 ' O ' ' CE1' ' A' ' 64' ' ' PHE . 3.8 mt-10 -81.21 -30.91 34.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -76.17 122.94 25.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.423 ' CD2' HD11 ' A' ' 84' ' ' LEU . 82.6 m-85 -109.85 161.93 14.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.1 m -111.26 118.4 35.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.68 135.86 33.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.2 t -128.16 123.16 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.18 144.19 50.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.4 mt -132.76 -73.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.99 157.46 0.69 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.787 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 59.09 31.56 21.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.2 33.59 16.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.5 103.18 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.426 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 19.4 pt -95.61 153.94 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -108.51 126.89 53.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.016 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.9 mt -89.52 164.79 14.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.3 tttm -157.26 124.83 5.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.422 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -67.71 147.5 52.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.76 -28.31 65.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -60.43 -38.01 82.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.339 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.61 46.48 0.21 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -149.12 149.54 31.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -88.75 139.12 30.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.423 HD11 ' CD2' ' A' ' 64' ' ' PHE . 55.7 mt -78.01 111.9 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -134.05 127.17 4.47 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.7 pp -69.8 151.27 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 111.109 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -87.11 166.58 14.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 63.7 p -61.42 -32.34 72.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.3 -30.99 65.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 117.92 35.06 1.08 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 tp -114.4 142.76 45.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.9 121.16 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.4 m -139.35 179.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.143 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -155.06 85.67 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.56 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -156.26 31.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.839 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.7 -38.83 6.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.75 31.71 20.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.63 143.16 29.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 26.1 mt -83.91 77.46 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -99.57 173.64 26.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.538 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.03 -36.7 66.19 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.639 2.226 . . . . 0.0 112.285 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -71.63 -36.02 70.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.408 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 9.6 mp0 -70.82 -24.15 62.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.212 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -57.35 150.2 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 0.0 111.097 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.408 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 98.5 m95 -138.53 135.27 34.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.79 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -124.65 95.34 42.91 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.969 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.29 144.95 58.29 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.478 2.118 . . . . 0.0 112.304 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.74 131.64 64.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.232 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -110.61 120.91 43.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -150.02 134.26 17.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 59.25 47.59 11.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 57.61 25.74 55.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.607 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -127.07 177.01 6.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.351 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -152.92 129.02 10.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.68 124.24 22.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.066 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.8 tp -68.01 131.16 44.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.5 tp -102.85 128.13 49.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.975 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -78.34 163.42 25.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.7 t -58.23 -20.9 45.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 34.4 p-10 -96.36 24.2 6.01 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.37 41.48 31.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.871 0.367 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 14.4 m -132.04 117.64 18.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.404 ' CD2' ' HB1' ' A' ' 139' ' ' ALA . 62.8 m-85 -60.23 139.79 57.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 23.6 pt -71.66 159.59 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.0 ttt-85 -172.34 155.99 3.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 8.2 p -108.41 128.44 54.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -73.83 173.55 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -84.89 -31.68 23.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.21 -43.92 60.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 136.59 46.11 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -136.92 99.57 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 28.8 mt -73.51 99.29 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -121.09 172.34 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -91.99 114.12 26.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.052 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.56 171.51 7.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -60.28 179.44 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -60.54 -30.61 69.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.99 116.72 6.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.404 ' HB1' ' CD2' ' A' ' 123' ' ' PHE . . . -100.65 103.64 14.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.08 179.97 37.98 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.63 -32.42 73.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -86.28 -29.05 23.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -30.27 65.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 24.4 mmt -59.46 154.32 17.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 18.4 pt -130.0 157.61 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -112.34 87.16 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 4.8 mt -75.18 130.35 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 33.9 mtt-85 -124.76 175.47 7.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.3 t -144.98 156.74 44.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 9.8 p -120.9 31.57 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.942 0.401 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -102.0 113.07 37.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -115.58 94.12 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.78 -76.08 0.22 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.418 HG13 ' CD1' ' A' ' 14' ' ' TRP . 4.0 pt -140.54 31.25 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.418 ' CD1' HG13 ' A' ' 13' ' ' ILE . 80.2 m95 -136.01 114.51 11.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 53.3 p-90 -114.26 133.87 55.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.9 m -65.98 144.35 56.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.0 m -90.52 158.17 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -113.71 -36.74 4.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -131.67 173.96 10.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.964 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CE1' HG21 ' A' ' 74' ' ' ILE . 69.2 t80 -59.57 -45.2 92.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.024 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.64 -26.32 45.76 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.691 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -73.33 -31.51 64.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.784 0.326 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.7 mt -75.37 122.34 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.144 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.2 t -177.01 153.22 0.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.33 -164.28 41.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.475 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.95 122.99 15.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.5 pp -135.76 155.62 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.17 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.41 135.88 54.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.5 mt -105.62 140.47 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -125.2 111.79 15.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 32.3 mtt -89.96 -39.73 12.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -106.29 169.22 8.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -77.72 84.67 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.16 -37.73 3.31 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.45 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.97 163.84 23.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.909 0.385 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -139.47 168.49 19.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.7 mt -72.99 105.84 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -92.24 112.41 24.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.23 175.89 6.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 mt -140.72 154.84 46.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.958 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -73.57 -36.59 65.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.958 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -58.46 -27.05 64.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.27 24.66 4.07 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.2 mt -121.43 -179.96 4.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.792 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.418 ' CE2' HD22 ' A' ' 84' ' ' LEU . 33.9 m-85 -141.71 126.87 18.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.052 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 t -124.67 159.11 31.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.79 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.4 tp -78.55 104.49 9.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.16 174.12 7.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.405 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.72 148.85 49.79 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.698 0.285 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.66 165.32 32.38 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.557 2.171 . . . . 0.0 112.348 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -94.21 160.67 14.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.38 -41.85 10.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.53 151.13 27.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.35 -64.21 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.38 79.59 6.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -133.59 158.32 43.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -102.51 151.52 18.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.432 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.65 158.31 53.79 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.526 2.151 . . . . 0.0 112.389 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.403 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . 51.1 m -80.02 164.04 54.76 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.761 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.498 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 50.5 Cg_exo -54.02 -45.08 43.69 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.505 2.136 . . . . 0.0 112.794 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 60' ' ' PRO . 38.3 Cg_exo -59.73 -34.92 95.92 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.527 2.152 . . . . 0.0 112.022 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 34.0 mt-10 -82.92 -30.51 28.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -69.98 117.66 11.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.405 ' CE2' HD13 ' A' ' 84' ' ' LEU . 85.3 m-85 -101.84 174.05 6.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.47 118.37 24.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.38 158.97 21.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -152.34 108.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.01 110.68 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.1 mt -92.28 -79.41 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 m 179.93 155.42 0.59 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t0 59.02 42.11 19.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.73 40.25 13.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -122.12 129.62 52.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.419 HG21 ' CE1' ' A' ' 20' ' ' PHE . 15.1 pt -120.41 145.07 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.71 124.57 48.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.6 mt -89.21 152.28 21.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -144.76 119.19 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 p -60.23 159.9 9.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.1 -32.44 84.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.557 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -61.31 -39.12 89.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 125.11 41.26 0.37 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -136.87 136.6 38.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -76.25 135.2 39.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.418 HD22 ' CE2' ' A' ' 45' ' ' PHE . 20.7 mt -68.54 116.12 8.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -130.83 119.17 2.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.7 pt -74.17 149.79 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 111.072 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -91.97 168.2 11.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.1 p -73.28 -32.24 64.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.13 -40.89 91.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 127.39 63.34 0.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.2 tp -152.92 150.0 28.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.9 t -98.13 104.11 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.048 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.23 157.21 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -120.75 104.22 0.96 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.54 91.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.785 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.7 t -169.74 -42.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.24 33.6 14.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.72 143.77 17.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.083 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.9 mt -77.2 80.21 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -90.2 177.16 42.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.84 -61.17 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.533 2.155 . . . . 0.0 112.412 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -57.76 -31.02 66.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.407 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 1.9 mp0 -64.06 -28.3 69.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -58.64 152.77 17.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.052 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.407 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 98.8 m95 -137.02 145.62 44.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -132.09 90.03 36.22 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.1 154.4 70.43 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.521 2.147 . . . . 0.0 112.266 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.3 t -140.24 158.77 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.181 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.418 ' CD2' ' HB3' ' A' ' 114' ' ' MET . 18.5 m-85 -130.9 129.0 41.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -142.68 128.99 19.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 59.03 26.83 15.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.78 -31.29 7.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.582 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -70.8 178.05 3.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.33 . . . . 0.0 110.954 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.418 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 4.0 ptp -147.41 142.55 27.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.409 ' HB1' ' CE1' ' A' ' 123' ' ' PHE . . . -137.26 143.58 42.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 45.1 tp -96.34 90.33 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.7 tp -71.27 131.23 43.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.45 169.43 18.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.8 t -65.67 -14.17 60.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 47.9 p30 -93.69 20.81 7.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.301 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.88 53.51 8.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.876 0.369 . . . . 0.0 111.04 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.3 m -156.69 136.47 12.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.409 ' CE1' ' HB1' ' A' ' 115' ' ' ALA . 49.5 m-85 -67.15 168.19 10.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 21.1 pt -93.19 159.79 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.24 161.35 19.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 25.0 p -111.96 173.24 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.977 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -127.77 160.77 30.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.48 -37.79 83.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.29 -34.92 73.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.12 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 121.5 38.79 0.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -123.53 101.71 7.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.9 mm -70.02 110.83 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.82 179.65 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -106.26 122.8 46.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.8 169.66 17.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.817 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.33 177.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -62.81 -31.6 72.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.2 p -58.69 132.33 53.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.407 ' HB1' ' CE2' ' A' ' 123' ' ' PHE . . . -112.96 155.31 25.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.047 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -143.97 173.47 24.75 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.23 -31.67 69.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.367 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -85.88 -31.17 22.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -30.64 69.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 23.3 mmt -59.16 139.77 56.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 3.3 pt -118.15 176.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -129.69 100.1 5.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 2.4 mp -81.46 104.61 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.84 149.68 24.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 38.3 t -135.82 133.04 37.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 30.2 p -107.12 31.85 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 -179.941 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.768 0.318 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.6 tt -119.31 113.34 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.59 89.85 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.46 -78.33 0.34 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.426 HG13 ' CD1' ' A' ' 14' ' ' TRP . 0.9 OUTLIER -139.35 32.62 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.845 0.355 . . . . 0.0 111.083 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.426 ' CD1' HG13 ' A' ' 13' ' ' ILE . 52.9 m95 -141.76 118.62 11.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 50.8 p-90 -114.83 134.17 55.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.2 m -67.51 125.21 25.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.7 m -70.83 173.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.167 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.33 -48.93 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -112.09 178.1 4.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 72' ' ' SER . 69.8 t80 -74.37 -34.24 63.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.994 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.33 -27.6 60.76 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.565 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.79 -29.76 62.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.979 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.1 mt -68.54 105.47 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.04 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.25 104.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.819 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.48 -158.67 14.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.439 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.5 m -67.04 132.09 47.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.3 pt -139.2 173.3 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.47 126.16 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.9 mt -105.46 123.41 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.1 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -107.27 111.64 24.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.988 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.2 mtt -86.07 -48.32 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -102.39 161.8 13.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -71.16 79.99 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.26 -31.21 5.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.53 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.11 163.42 17.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.766 0.317 . . . . 0.0 111.085 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -136.9 151.98 49.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mt -66.31 116.43 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -100.04 162.74 12.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.449 ' CB ' ' CE2' ' A' ' 45' ' ' PHE . . . -126.87 141.1 51.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.9 mt -97.42 154.29 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -65.8 -31.51 72.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -67.97 -35.52 78.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.17 -26.59 2.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.542 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 mt -67.18 173.17 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.449 ' CE2' ' CB ' ' A' ' 39' ' ' ALA . 21.2 m-85 -138.64 134.08 33.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.7 t -126.17 179.89 5.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.3 tp -94.21 108.58 20.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.67 163.98 12.98 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.554 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.03 148.68 84.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.681 0.277 . . . . 0.0 111.118 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.74 146.49 54.29 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.624 2.216 . . . . 0.0 112.315 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -75.18 142.11 43.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 -70.03 -37.19 75.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.92 146.83 27.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.01 -49.94 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -110.06 79.09 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -125.74 132.63 52.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.85 150.29 51.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.05 162.09 43.14 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.609 2.206 . . . . 0.0 112.282 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.8 m -75.6 162.05 73.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.803 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.539 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 54.4 Cg_exo -51.29 -48.17 22.45 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.504 2.136 . . . . 0.0 112.618 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 56.3 Cg_endo -70.55 -25.28 25.12 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.136 1.891 . . . . 0.0 112.285 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -78.61 -31.35 47.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.82 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -67.58 134.78 51.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.416 ' CD1' HD12 ' A' ' 84' ' ' LEU . 97.6 m-85 -114.61 158.03 22.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.85 134.92 52.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.15 133.7 49.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.068 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.04 132.12 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -76.16 144.88 40.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.5 mt -133.34 -72.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.0 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.3 p 179.82 157.21 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 54.82 36.33 26.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 1.0 OUTLIER 61.23 29.66 18.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -105.91 104.18 13.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.731 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.4 pt -95.2 140.28 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.282 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.94 134.48 36.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.053 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 26.4 mt -96.41 146.26 24.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -132.07 125.32 31.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.797 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.2 p -63.91 158.07 23.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.47 -27.13 57.96 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -72.6 -31.82 65.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.24 -18.62 5.24 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.623 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -70.98 169.62 14.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.83 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -107.07 133.69 51.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.44 ' CD2' ' CZ ' ' A' ' 45' ' ' PHE . 80.7 mt -69.49 130.91 43.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.89 128.23 2.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.5 pt -67.21 166.12 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.903 0.382 . . . . 0.0 111.106 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -111.88 176.51 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.5 p -65.01 -31.34 72.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.69 -34.04 66.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 128.8 -24.4 4.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.592 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tp -56.93 155.88 7.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 111.048 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.72 95.87 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 24.2 m -104.74 168.71 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -136.98 95.92 0.24 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -167.46 107.76 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.75 -39.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.978 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.06 30.57 13.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.811 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.06 -168.8 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.3 mt -122.87 89.82 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.73 -160.04 27.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.54 -45.74 1.09 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.584 2.189 . . . . 0.0 112.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -33.11 75.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.406 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 0.7 OUTLIER -66.03 -19.63 65.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.211 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -71.49 125.52 27.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.848 0.356 . . . . 0.0 111.006 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.411 ' CZ3' ' HA ' ' A' ' 118' ' ' ALA . 93.1 m95 -124.4 141.36 52.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.789 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -119.9 97.82 49.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.952 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.23 153.85 70.74 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.397 2.065 . . . . 0.0 112.242 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 t -140.83 159.41 23.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.293 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -133.48 141.34 47.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.77 101.76 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 57.23 47.62 16.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.0 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.91 -45.21 2.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.4 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -60.5 179.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.8 ptp -161.11 153.23 19.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -144.41 163.46 33.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.1 tp -115.91 123.53 48.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.7 tp -105.85 123.26 47.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.808 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.411 ' HA ' ' CZ3' ' A' ' 105' ' ' TRP . . . -65.34 165.37 11.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.26 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.51 -16.04 61.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.236 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 40.9 p30 -94.02 21.33 6.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.271 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.75 52.55 10.69 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.834 0.35 . . . . 0.0 111.083 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.3 m -147.85 125.52 11.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -63.85 129.45 40.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 37.7 pt -68.17 160.91 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.253 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.81 173.38 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 25.9 p -122.74 157.0 33.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -101.05 173.37 6.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -71.15 -47.85 55.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.85 -31.21 69.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 119.08 51.42 0.29 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.451 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.77 127.08 33.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.322 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 28.0 mm -90.09 108.47 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.34 168.28 11.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -91.42 100.16 12.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -61.23 167.0 3.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.62 -180.0 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -70.04 -29.42 66.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 11.6 p -56.96 127.77 33.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.015 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -109.37 97.85 7.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -84.73 179.97 51.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -59.53 -49.62 77.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -66.2 -30.5 70.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.95 -31.03 68.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.7 mmt -60.09 147.88 37.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 10.0 pt -133.53 174.91 12.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -126.36 105.64 8.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 23.2 mt -89.34 119.56 36.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -104.81 161.32 14.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 7.6 t -144.49 143.26 30.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 25.6 p -110.56 32.61 5.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.851 0.358 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -116.95 136.3 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.046 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.81 102.94 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.38 -87.42 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.445 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.41 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.4 pt -132.01 30.82 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 111.119 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.41 ' CD1' HG13 ' A' ' 13' ' ' ILE . 68.3 m95 -132.29 139.0 48.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -131.73 138.33 48.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.41 127.5 32.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.932 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.3 m -64.62 177.85 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -139.43 -47.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -132.02 176.03 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -61.93 -39.74 93.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.21 -28.61 64.48 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.441 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -81.5 -31.53 32.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.8 mt -82.24 95.98 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -158.92 112.6 2.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.19 -156.57 15.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.24 130.6 47.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.6 pt -146.61 159.45 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.9 137.49 54.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.105 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.416 HD13 ' CD2' ' A' ' 64' ' ' PHE . 4.4 mt -115.17 128.35 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.406 ' OE2' ' CZ ' ' A' ' 36' ' ' TYR . 13.0 tt0 -116.41 104.36 11.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.7 mtt -71.1 -55.71 7.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.83 179.74 5.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 tttp -78.09 80.21 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.28 -27.54 8.45 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.551 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.75 145.09 25.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.853 0.359 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.406 ' CZ ' ' OE2' ' A' ' 30' ' ' GLU . 40.0 m-85 -118.54 174.17 6.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.3 mt -79.07 116.5 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -98.9 149.41 22.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.9 175.09 5.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.09 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.3 mt -145.07 140.43 28.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.62 -30.47 70.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -58.25 -28.53 65.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.39 30.07 2.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.8 mt -135.52 180.0 5.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.745 0.307 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.401 ' CZ ' HD21 ' A' ' 84' ' ' LEU . 13.6 m-85 -137.21 126.18 24.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -126.62 157.85 37.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.1 tp -64.57 120.22 11.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.5 154.95 52.8 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.75 132.47 74.79 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 120.502 0.191 . . . . 0.0 111.065 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.54 173.37 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.446 2.098 . . . . 0.0 112.234 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -103.44 137.04 42.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -31.28 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -103.8 142.17 34.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -69.58 -31.14 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.062 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -104.03 83.44 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -147.79 160.33 42.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -99.7 155.86 19.74 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.454 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.43 145.83 54.36 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.57 2.18 . . . . 0.0 112.357 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.15 163.72 5.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.52 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 58.6 Cg_exo -50.44 -50.8 12.5 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.532 2.155 . . . . 0.0 112.711 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 40.0 Cg_endo -66.94 -25.58 44.71 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.076 1.851 . . . . 0.0 112.242 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 10.2 mt-10 -74.06 -30.02 62.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -68.1 165.4 18.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.416 ' CD2' HD13 ' A' ' 29' ' ' ILE . 79.5 m-85 -150.38 170.49 18.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -133.61 120.73 21.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.16 134.25 35.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.063 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.3 t -127.84 122.24 58.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.33 126.85 30.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.784 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.7 mt -113.65 -75.0 0.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.007 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m -179.99 155.49 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t70 59.33 36.41 23.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m 60.21 57.01 3.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -133.23 125.52 29.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.2 pt -106.33 134.2 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.45 95.18 9.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.3 mt -65.68 152.81 43.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -147.5 122.33 9.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 p -65.21 150.4 48.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.22 -28.23 68.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -59.97 -30.84 69.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.85 37.76 0.75 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.508 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -136.33 165.2 26.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -100.54 122.91 44.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.416 HD12 ' CE1' ' A' ' 64' ' ' PHE . 27.9 mt -63.19 110.53 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.81 128.83 4.23 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.532 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.2 pt -66.29 166.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -98.58 171.01 8.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.6 p -74.29 -31.69 62.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -75.01 -39.91 60.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.13 55.3 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.8 tp -146.0 130.28 17.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.56 120.35 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.0 m -136.65 176.24 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.25 93.5 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.5 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.5 ptt85 -147.93 31.78 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.817 0.341 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.14 130.85 51.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -98.6 31.17 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -137.03 -169.45 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.6 mt -127.34 85.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.2 -170.33 32.1 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.76 -28.74 30.08 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.554 2.169 . . . . 0.0 112.325 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 -79.01 -31.41 44.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -76.1 -16.57 59.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.223 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -74.91 157.1 35.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.847 0.356 . . . . 0.0 111.058 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.412 ' CE3' ' HA ' ' A' ' 118' ' ' ALA . 84.4 m95 -141.58 175.68 9.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.745 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -148.11 100.23 3.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.082 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.23 126.8 13.4 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.524 2.149 . . . . 0.0 112.235 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.62 158.16 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.24 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -137.03 132.67 34.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -140.67 101.15 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 59.28 41.26 20.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.34 -42.43 2.15 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -60.38 175.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 4.7 ptp -156.6 151.98 26.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -151.23 116.57 5.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 15.4 tp -69.55 95.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.5 tp -81.61 123.15 28.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.412 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -59.85 170.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.8 t -73.78 -7.97 54.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.294 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 44.3 p30 -96.33 25.13 5.18 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.705 0.288 . . . . 0.0 111.095 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.1 p 54.9 34.75 22.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.156 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 3.1 m -139.54 122.05 16.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.421 ' CE2' ' HB3' ' A' ' 139' ' ' ALA . 73.8 m-85 -59.86 163.15 4.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 27.2 pt -112.1 159.51 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.36 162.39 6.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.4 p -105.1 152.59 22.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -105.52 173.92 6.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -90.45 -31.3 16.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.17 99.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 134.99 51.79 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.579 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -155.65 148.8 24.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 26.3 mt -126.78 97.12 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -115.64 179.59 3.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -101.82 122.44 43.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.32 175.47 10.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -59.89 177.8 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -59.49 -26.78 65.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.54 117.7 4.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.421 ' HB3' ' CE2' ' A' ' 123' ' ' PHE . . . -94.07 115.15 27.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -100.79 173.0 24.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -63.57 -31.67 72.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.28 -30.83 43.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.78 -30.43 67.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.4 mmt -58.77 145.42 40.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 4.6 pt -130.81 158.54 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.059 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -98.85 86.53 3.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 24.2 mt -76.71 105.77 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.198 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -99.48 179.61 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.2 t -158.12 134.73 9.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . 0.405 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 13.3 p -104.68 31.6 4.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.806 0.336 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 tt -124.01 116.48 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.3 106.89 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.26 -85.89 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.42 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.4 pt -135.4 30.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.42 ' CD1' HG13 ' A' ' 13' ' ' ILE . 69.5 m95 -134.57 120.41 19.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.5 p-90 -112.61 122.53 47.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.9 m -60.11 138.06 57.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.7 m -76.89 140.57 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.18 -37.6 10.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.793 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -138.06 171.48 14.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 72' ' ' SER . 89.7 t80 -59.34 -44.23 92.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.29 -26.94 45.32 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.478 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -79.93 -29.94 39.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.6 mt -70.72 97.33 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.079 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -152.6 161.02 43.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.95 -149.47 47.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.8 m -70.97 130.91 42.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.0 pt -148.64 147.19 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -106.84 151.42 25.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.2 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.7 mt -125.73 119.31 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.42 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 15.3 tt0 -107.35 127.47 53.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 6.6 mtt -92.01 -55.39 3.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.28 173.26 7.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.0 79.98 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.45 -28.62 3.57 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.546 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.68 152.24 20.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.81 0.338 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.42 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 81.6 m-85 -125.61 167.82 14.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.9 mt -76.09 113.28 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.179 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -95.67 158.53 15.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -117.08 119.09 34.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.087 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 44.4 mt -77.63 169.42 18.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -89.36 -31.8 17.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -65.01 -32.88 74.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.64 41.7 0.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.429 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 mt -140.66 175.77 9.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -136.48 119.48 16.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.5 t -125.39 166.16 17.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.6 tp -56.98 117.36 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.72 155.28 52.83 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.562 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.83 111.48 4.93 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 120.622 0.248 . . . . 0.0 111.024 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.91 145.0 33.93 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.448 2.099 . . . . 0.0 112.361 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -70.02 157.52 37.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -84.57 -33.41 23.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.97 167.42 10.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.99 -64.72 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.58 83.21 6.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -132.74 155.4 48.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -101.22 149.07 18.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.62 157.69 55.27 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.566 2.178 . . . . 0.0 112.413 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.78 162.73 72.77 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.534 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 66.5 Cg_exo -49.96 -50.5 13.13 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.519 2.146 . . . . 0.0 112.693 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 38.1 Cg_endo -66.17 -24.46 51.54 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.149 1.899 . . . . 0.0 112.329 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -76.42 -30.99 57.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -69.98 141.78 52.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -124.57 164.16 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.23 118.49 26.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.68 154.32 27.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.063 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.85 99.04 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -62.75 143.02 57.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.4 mt -133.44 -69.85 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.967 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.97 162.9 1.03 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 58.33 35.48 24.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.992 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.425 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 20.0 m 59.74 38.11 21.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -118.65 131.79 56.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.9 pt -126.58 156.89 37.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -111.04 130.16 55.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.08 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.8 mt -94.23 141.76 28.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -129.07 128.85 44.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.772 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -78.58 155.31 29.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.51 -28.43 62.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.604 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -61.66 -35.51 78.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 121.67 37.19 0.68 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.523 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -137.83 164.25 29.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.343 . . . . 0.0 110.94 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -103.27 132.59 49.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.784 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.1 mt -60.55 111.69 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -128.0 135.84 8.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.488 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.3 pt -87.22 133.31 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.79 0.329 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -69.09 169.8 11.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.0 t -60.3 -31.42 70.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.8 -31.5 66.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 114.2 32.46 2.0 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.526 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 tp -107.01 134.91 49.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.6 t -76.63 114.83 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.3 m -140.89 179.56 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.38 82.67 0.17 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -131.58 34.68 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 m -144.28 147.66 33.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -111.06 31.59 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -132.89 131.42 40.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.2 mt -77.72 78.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -87.71 175.88 45.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.35 -43.14 56.18 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.614 2.209 . . . . 0.0 112.244 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -70.0 -32.27 70.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.04 -28.95 63.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -58.51 157.87 8.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.424 ' CE3' ' CD2' ' A' ' 116' ' ' LEU . 96.2 m95 -137.52 -179.95 6.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -160.6 88.12 1.77 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.9 164.12 1.73 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.541 2.161 . . . . 0.0 112.235 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -143.07 159.18 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 114' ' ' MET . 90.5 m-85 -151.65 122.36 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -142.92 125.8 16.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.95 29.39 18.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.49 -32.56 6.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.565 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -65.53 179.25 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.933 0.397 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.417 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 1.5 ptp -149.46 155.65 40.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -160.94 142.21 11.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.424 ' CD2' ' CE3' ' A' ' 105' ' ' TRP . 6.1 tp -96.49 129.51 43.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 tp -109.33 124.46 50.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.409 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -66.2 171.48 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.5 t -73.26 -7.75 52.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.328 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 38.8 p30 -96.01 25.14 4.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.67 0.271 . . . . 0.0 111.181 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 m 55.5 33.79 21.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 9.0 m -136.83 135.32 37.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.417 ' CE2' ' HB1' ' A' ' 139' ' ' ALA . 60.7 m-85 -68.78 169.25 11.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.761 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.1 pt -100.43 158.57 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -176.47 137.89 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 21.5 p -78.25 168.86 19.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -115.2 172.33 7.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -84.24 -31.61 24.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.07 -47.85 26.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 139.48 44.51 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -148.25 100.77 3.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.4 mt -71.39 120.29 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.051 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -131.0 154.8 47.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.97 110.82 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.8 176.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -59.61 176.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.08 -30.97 71.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.962 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.39 118.05 5.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.417 ' HB1' ' CE2' ' A' ' 123' ' ' PHE . . . -105.09 107.57 18.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -96.7 177.11 32.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.429 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.14 -42.29 94.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 110.807 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.93 -35.71 77.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -26.22 68.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 26.1 mmt -56.06 116.04 2.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 4.6 pt -105.89 179.97 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -132.19 106.57 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 2.0 mp -92.2 116.36 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -94.81 159.85 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 29.3 t -136.43 129.15 30.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.988 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . 0.412 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 29.9 p -108.66 32.21 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.5 tt -115.17 114.4 46.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.064 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.9 t -104.55 101.37 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.76 -82.27 0.31 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.425 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.4 pt -139.26 31.46 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.425 ' CD1' HG13 ' A' ' 13' ' ' ILE . 75.3 m95 -138.72 114.73 10.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.828 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.404 ' CZ3' HG12 ' A' ' 17' ' ' VAL . 47.2 p-90 -103.52 132.51 49.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 m -67.86 131.53 45.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.404 HG12 ' CZ3' ' A' ' 15' ' ' TRP . 11.6 m -77.61 167.07 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -121.41 -42.67 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -126.89 179.24 5.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.422 ' CZ ' HG22 ' A' ' 74' ' ' ILE . 48.0 t80 -69.2 -34.54 75.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.23 -28.6 69.43 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.547 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.32 -32.95 49.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.0 mt -75.79 111.84 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.27 123.24 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.0 -157.44 19.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.435 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.4 m -63.6 112.43 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.2 pt -127.52 173.21 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.54 168.11 16.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.3 mt -142.29 127.77 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -120.99 112.04 18.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 15.6 mtt -88.86 -55.01 3.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.31 179.11 7.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.798 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -78.08 83.08 4.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.4 -29.46 11.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.19 147.19 32.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -119.36 173.54 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 25.6 mt -77.36 115.27 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -98.66 124.76 43.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.0 147.39 25.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.067 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.1 mt -116.88 152.43 34.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -81.67 -28.65 33.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.057 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -56.12 -25.55 46.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.04 31.91 1.64 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.556 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mt -143.68 179.76 6.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 110.81 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -135.59 119.1 16.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.2 t -118.9 158.52 25.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.1 tp -75.7 121.95 23.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.37 169.36 54.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.441 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.15 143.07 64.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.661 0.267 . . . . 0.0 111.033 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -74.19 173.52 14.0 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.541 2.161 . . . . 0.0 112.316 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -109.18 145.31 36.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -74.22 -49.84 21.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -74.29 153.51 39.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.52 -64.79 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -69.04 83.7 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -146.01 121.38 10.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.03 156.56 43.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.528 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.23 164.16 36.02 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.518 2.146 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.92 161.54 78.1 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.532 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 59.0 Cg_exo -50.61 -49.96 15.12 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.563 2.176 . . . . 0.0 112.702 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 41.8 Cg_endo -67.48 -25.21 41.62 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.12 1.88 . . . . 0.0 112.229 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -77.1 -31.69 56.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -66.67 112.95 4.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -99.52 177.2 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -138.43 118.45 13.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.6 134.59 34.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.7 t -127.79 124.69 63.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -63.79 153.02 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.5 mt -140.58 -73.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 m 179.96 154.7 0.56 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 62.23 34.27 16.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.026 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.6 m 61.05 39.07 16.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.13 133.09 56.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.789 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.422 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 2.8 pt -124.35 139.89 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.065 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.05 128.11 40.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.5 mt -89.16 131.93 35.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -119.19 133.96 55.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.1 p -80.39 150.52 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.5 -30.7 68.84 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -60.96 -31.21 70.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.02 45.64 0.58 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.585 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -146.5 164.76 31.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.832 0.349 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -97.52 139.29 33.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 64.2 mt -79.31 108.41 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -116.32 152.29 17.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.546 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.3 pt -97.43 136.03 29.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 111.179 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -77.74 175.37 10.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 91.7 p -75.12 -39.52 60.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -28.74 69.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 115.5 29.48 2.47 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 tp -114.21 115.79 28.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.4 t -69.27 121.63 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.8 m -138.11 -179.98 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.36 102.52 0.51 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -172.68 82.23 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.37 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.0 m -154.34 -45.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.3 t70 62.61 34.81 14.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -164.83 148.44 8.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.8 mt -76.08 84.88 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.68 166.16 23.74 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.18 -37.01 68.98 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.587 2.191 . . . . 0.0 112.349 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.5 mtt85 -74.46 -31.67 62.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 1.2 mp0 -71.92 -12.36 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.288 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -74.45 150.77 39.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.897 0.38 . . . . 0.0 111.03 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.419 ' CE3' ' HA ' ' A' ' 118' ' ' ALA . 73.6 m95 -140.51 149.31 42.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.726 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -127.76 97.53 29.95 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.072 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.73 152.31 17.3 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.397 2.065 . . . . 0.0 112.132 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.61 154.66 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.227 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.418 ' CD2' ' HB3' ' A' ' 114' ' ' MET . 29.4 m-85 -144.47 122.24 11.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.768 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.34 133.51 22.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.986 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 58.41 27.15 15.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.059 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.33 -33.47 5.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.612 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -77.3 179.98 6.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.418 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 3.1 ptt? -147.48 141.19 25.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -138.94 117.85 12.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.18 133.96 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.4 tp -110.92 123.55 50.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.419 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -69.67 167.93 15.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.1 t -67.06 -13.31 61.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.192 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -93.89 21.01 7.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.236 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.1 m 55.36 36.26 26.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.805 0.336 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 44.6 m -140.36 127.15 20.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -67.11 149.23 50.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 45.0 pt -89.44 144.84 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -149.01 128.55 13.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 20.3 p -79.41 154.87 28.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -111.7 166.36 11.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.42 -33.12 62.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.69 -29.57 69.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 114.14 28.92 2.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.546 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -123.7 116.23 22.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.757 0.313 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 26.9 mt -93.7 124.13 46.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.3 179.88 6.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -93.88 106.47 18.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.201 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 170.83 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -59.12 172.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -60.33 -40.79 91.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 16.6 p -67.16 102.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -83.46 106.53 15.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -65.51 176.89 13.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.42 -40.52 91.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -71.91 -31.1 66.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -25.33 64.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 34.7 mmt -55.57 145.42 23.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.029 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 3.1 pt -132.64 175.18 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -132.14 109.52 10.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 26.2 mt -91.44 119.96 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 29.4 mtt-85 -113.72 157.87 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.63 147.12 51.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 26.0 p -109.78 35.03 3.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.936 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.883 0.373 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.4 tt -138.89 122.12 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t -100.17 91.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.41 -82.02 0.7 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.387 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.405 HG13 ' CD1' ' A' ' 14' ' ' TRP . 46.0 pt -136.28 29.29 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.795 0.331 . . . . 0.0 111.089 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.418 ' CE3' ' HB3' ' A' ' 150' ' ' CYS . 46.3 m95 -133.53 120.76 21.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -117.15 135.68 53.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 m -69.47 141.03 54.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.7 m -78.0 177.02 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.089 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.7 m -124.57 -43.94 2.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.42 172.62 11.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -57.98 -42.4 85.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.008 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.59 -20.64 52.51 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.705 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.17 -32.43 38.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.741 0.305 . . . . 0.0 110.952 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.3 mt -70.72 124.79 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.076 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.9 t -177.43 150.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.99 -133.95 17.74 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.6 m -90.75 127.45 36.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp -141.15 134.98 31.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.26 148.01 27.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.8 mt -116.96 155.96 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -145.1 116.7 8.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 45.4 mtt -86.35 -52.68 5.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -89.32 176.22 7.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.797 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -83.0 81.72 8.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.41 -28.2 7.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.437 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.47 139.03 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -121.77 167.55 12.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.24 128.39 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -115.04 139.82 49.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.418 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . . . -99.49 134.98 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 mt -93.66 156.3 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -31.48 72.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -70.41 -31.15 68.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 133.46 -26.77 3.47 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.39 179.95 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.854 0.359 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 39' ' ' ALA . 25.0 m-85 -141.91 127.83 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 t -125.08 156.39 38.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.6 tp -72.51 114.26 10.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.0 149.56 51.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.446 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.41 138.16 96.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.5 0.19 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.55 157.97 8.67 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.437 2.092 . . . . 0.0 112.303 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -82.34 162.22 22.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -71.71 -74.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.41 158.99 31.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.99 -31.32 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -104.29 85.09 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -147.51 142.93 27.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.74 152.61 35.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.92 155.8 57.22 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.526 2.151 . . . . 0.0 112.347 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.3 m -76.69 162.37 70.78 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.834 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.489 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 52.0 Cg_exo -53.83 -45.13 43.31 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.498 2.132 . . . . 0.0 112.735 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 60' ' ' PRO . 27.9 Cg_exo -61.46 -29.99 86.03 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.427 2.085 . . . . 0.0 112.026 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 19.6 mt-10 -81.91 -29.44 32.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -67.7 143.87 55.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' A' ' 62' ' ' GLU . 96.8 m-85 -134.51 150.13 50.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -103.12 124.76 49.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.76 161.54 14.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.15 109.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -63.08 128.14 34.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.6 mt -112.15 -76.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.8 p -179.68 154.71 0.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 59.75 41.07 18.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m 62.13 31.49 17.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -111.21 125.85 54.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 18.5 pt -129.31 144.37 38.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.047 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.72 176.59 7.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.6 mt -145.84 130.72 18.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -123.38 132.35 53.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.52 158.66 25.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.74 -28.78 66.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.407 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -62.09 -30.36 70.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.39 29.71 2.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.59 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -124.75 176.06 6.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.736 0.303 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -114.66 129.39 56.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.3 mt -65.33 139.53 58.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.43 159.42 28.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.596 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 pt -108.19 149.67 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -91.22 162.18 14.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -31.8 70.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.3 -43.98 80.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 135.0 48.72 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.62 159.28 42.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.9 t -109.47 102.91 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.0 m -130.15 137.64 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -102.54 79.96 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.571 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -144.44 79.3 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.794 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.52 -44.71 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.9 t0 67.14 33.04 5.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.959 0.409 . . . . 0.0 110.813 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -168.05 141.67 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.995 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 mt -70.42 98.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -114.74 -178.18 18.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.54 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.96 -44.15 10.47 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.602 2.202 . . . . 0.0 112.182 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -62.68 -29.88 70.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.412 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 11.6 mp0 -78.67 -19.9 51.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.216 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -68.03 148.65 50.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.825 0.345 . . . . 0.0 111.091 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.426 ' CE3' ' HA ' ' A' ' 118' ' ' ALA . 81.8 m95 -134.19 -179.92 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.776 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -155.83 92.65 2.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.993 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.31 116.42 4.5 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.537 2.158 . . . . 0.0 112.245 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.18 145.12 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -119.85 129.11 54.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.82 112.39 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 59.56 36.18 22.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.54 -33.4 5.7 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -64.08 178.57 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 9.0 ptp -154.53 151.38 28.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.84 143.04 21.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.0 tp -85.23 113.75 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.3 tp -98.06 130.78 44.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.426 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -83.05 169.4 15.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.7 t -68.81 -11.28 60.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.229 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -94.75 22.39 6.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.674 0.273 . . . . 0.0 111.288 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.7 m 55.28 36.49 27.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.228 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 4.9 m -138.75 130.09 27.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -69.05 159.02 33.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 44.7 pt -77.52 155.81 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.23 141.5 16.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 11.1 p -105.04 118.75 37.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -78.15 168.84 19.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -78.2 -39.17 41.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.78 -30.36 71.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 117.06 34.24 1.26 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -124.39 100.5 6.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.788 0.328 . . . . 0.0 110.949 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 33.8 mm -69.96 108.83 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.058 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -120.73 154.58 35.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -83.43 110.9 18.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.29 174.1 8.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -60.21 176.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -63.84 -29.53 70.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.4 p -57.74 100.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.68 102.38 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -87.95 179.99 47.21 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.54 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -63.99 -39.28 93.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.787 0.327 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -70.99 -37.25 72.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -63.43 -26.92 68.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.0 mmt -56.45 135.52 54.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.4 pt -135.31 -179.98 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -144.62 89.81 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 7.2 mt -66.72 106.62 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -85.35 173.69 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.3 t -151.63 131.9 13.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . 0.418 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 9.9 p -105.66 31.61 4.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.79 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.931 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.805 0.335 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.3 tp -100.82 127.65 53.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.98 94.36 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.47 -72.77 0.46 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.361 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 pp -149.52 29.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 111.134 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.414 ' CE3' ' HB3' ' A' ' 150' ' ' CYS . 94.2 m95 -128.7 96.29 4.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.788 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 52.0 p-90 -94.86 122.37 37.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.86 163.4 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -107.45 132.46 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.225 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m -91.19 -37.35 13.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -132.01 173.29 11.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.421 ' CE2' ' HA ' ' A' ' 72' ' ' SER . 79.7 t80 -72.77 -34.58 67.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.039 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.37 -25.07 54.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.687 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.3 -30.11 24.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.018 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mt -64.52 117.24 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 p -177.26 140.14 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.753 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.0 -146.57 19.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.2 m -80.32 131.85 35.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.5 pt -143.57 173.97 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.64 153.16 51.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.7 mt -122.8 126.3 73.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.038 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -115.97 118.83 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.4 mtp -95.27 -48.63 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.88 171.31 8.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -75.01 81.93 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.76 -28.54 9.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.554 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.59 134.2 34.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.813 0.34 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -113.87 163.6 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.7 mt -70.71 122.66 23.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -103.94 135.96 44.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.81 139.56 36.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.4 mt -107.64 151.67 25.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -73.89 -31.08 62.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -58.9 -26.27 64.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.27 28.62 2.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -133.36 179.89 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.779 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.406 ' CE2' HD22 ' A' ' 84' ' ' LEU . 33.7 m-85 -141.61 139.27 33.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.6 t -132.7 179.95 5.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.4 tp -95.0 107.53 19.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.31 175.81 3.08 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.443 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.92 145.19 29.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.715 0.293 . . . . 0.0 111.087 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.38 135.12 21.87 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.512 2.141 . . . . 0.0 112.326 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -67.18 164.33 18.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.77 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.7 mtt-85 -73.97 -72.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -67.41 172.69 4.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.3 p -89.0 -34.43 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -89.57 79.84 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -151.05 122.43 7.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.787 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.41 156.11 42.66 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.599 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.58 151.92 64.74 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.556 2.171 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.2 m -63.82 162.98 24.54 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.749 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.504 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 49.0 Cg_exo -54.38 -45.19 42.86 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.5 2.133 . . . . 0.0 112.651 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 60' ' ' PRO . 37.5 Cg_exo -59.6 -27.74 85.71 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.552 2.168 . . . . 0.0 112.086 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.418 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 7.1 mt-10 -85.86 -28.42 24.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.02 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -60.62 123.97 19.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.423 ' CD1' ' HA ' ' A' ' 78' ' ' SER . 85.1 m-85 -111.27 171.14 7.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.1 m -130.51 129.08 42.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.71 145.57 25.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.68 109.75 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -62.63 143.01 57.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.4 mt -125.99 -68.03 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.016 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.9 p 179.92 152.06 0.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 t0 58.61 39.45 24.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.99 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.421 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 2.2 m 60.66 37.3 19.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.4 mmm-85 -117.33 110.17 17.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.3 pt -105.81 161.16 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -112.35 134.91 53.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.3 mt -99.59 144.28 28.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.423 ' CE ' ' CZ ' ' A' ' 83' ' ' TYR . 5.8 ttmm -135.96 128.83 31.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.423 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . 3.3 p -68.22 155.07 40.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.13 -27.84 60.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.552 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -66.02 -43.0 88.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.1 45.1 0.17 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.553 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -141.68 152.85 44.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.837 0.351 . . . . 0.0 110.826 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.423 ' CZ ' ' CE ' ' A' ' 77' ' ' LYS . 97.8 m-85 -89.29 132.63 34.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.406 HD22 ' CE2' ' A' ' 45' ' ' PHE . 42.6 mt -66.49 97.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -112.15 131.49 10.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.06 127.3 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -59.55 160.07 7.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -36.49 83.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -62.83 -44.82 95.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.53 44.18 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.39 152.8 47.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.812 0.339 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -95.4 117.1 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.1 m -137.88 175.42 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.92 93.02 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.87 33.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.2 134.48 46.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -98.69 31.01 3.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.14 166.64 23.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.5 mt -104.11 81.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -91.56 -165.78 39.76 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.0 -40.71 4.64 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.636 2.224 . . . . 0.0 112.283 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 41.1 mtt85 -66.72 -30.82 71.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 25.2 mp0 -75.04 -26.94 59.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -56.49 155.21 7.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.405 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 97.6 m95 -142.87 179.99 6.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -162.24 96.15 1.21 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.84 168.03 21.46 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.436 2.091 . . . . 0.0 112.247 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.03 158.9 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.421 ' CD2' ' HB3' ' A' ' 114' ' ' MET . 96.9 m-85 -152.76 120.11 5.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -144.7 124.59 13.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 59.39 28.81 18.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.8 -32.08 6.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -65.59 172.5 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.421 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 3.4 ptp -153.39 150.62 29.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.989 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.32 155.05 35.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.156 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.7 tp -107.05 130.52 54.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 31.1 tp -108.39 128.28 54.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.33 165.54 24.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.7 t -67.72 -14.15 62.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.289 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 56.5 p30 -96.25 24.94 5.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.778 0.323 . . . . 0.0 111.198 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.8 p 57.37 41.38 26.5 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 26.0 m -146.86 122.44 10.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -59.92 167.61 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 39.8 pt -94.61 164.97 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -176.52 137.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 20.3 p -94.11 146.48 23.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -90.52 175.51 7.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -82.01 -31.76 30.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.9 -33.94 51.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 124.73 40.78 0.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.528 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -127.29 99.85 5.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 33.4 mt -74.62 117.38 18.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.145 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.92 168.87 18.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -82.2 123.72 29.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -83.74 165.0 19.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -51.3 168.68 0.06 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -59.64 -36.7 76.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 30.0 p -58.87 102.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -78.17 87.06 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -61.7 179.95 3.67 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.8 -37.7 73.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.793 0.33 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -72.62 -31.62 65.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -28.34 68.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 32.7 mmt -57.09 137.61 55.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.994 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 8.3 pt -119.07 -179.99 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -135.07 95.29 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 8.0 mt -80.99 128.1 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -124.29 145.29 49.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.57 162.38 14.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . 0.414 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 26.9 p -138.5 35.77 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 t0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.803 0.335 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 tt -126.6 136.33 61.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.6 96.71 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.74 -85.73 0.11 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.423 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.2 pt -130.91 30.75 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.423 ' CD1' HG13 ' A' ' 13' ' ' ILE . 84.5 m95 -135.02 143.88 47.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 56.9 p-90 -139.58 135.53 33.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.34 143.24 52.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.8 m -81.41 170.03 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.2 p -127.14 -45.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -129.84 173.6 10.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 72' ' ' SER . 26.3 t80 -59.72 -44.99 93.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.44 -26.24 51.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.629 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -74.08 -34.86 64.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 30.0 mt -75.28 113.06 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.079 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.06 100.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.43 -147.73 16.95 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.425 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.9 m -78.17 126.98 31.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.422 ' CD1' ' N ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -141.58 147.82 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.34 133.49 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -109.27 127.3 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.218 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.42 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 10.9 tt0 -105.56 108.79 20.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.9 mtt -80.85 -67.71 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.3 178.06 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.97 84.56 4.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.9 -29.38 10.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.73 153.39 24.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.819 0.342 . . . . 0.0 111.078 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.42 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 71.9 m-85 -124.11 178.89 5.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.9 mt -81.69 123.04 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -107.72 149.43 28.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.64 159.32 16.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.7 mt -128.01 169.23 14.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.949 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.72 -33.43 15.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.949 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -59.93 -29.42 68.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.07 35.17 0.97 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.528 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 mt -137.46 172.48 12.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.402 ' CE2' HD23 ' A' ' 84' ' ' LEU . 17.3 m-85 -134.81 117.11 15.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.987 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -112.7 169.85 8.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.0 tp -73.6 115.55 13.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.48 168.83 6.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.64 124.26 90.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.541 0.21 . . . . 0.0 111.052 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.59 131.86 22.38 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.402 2.068 . . . . 0.0 112.322 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -81.62 120.0 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -46.45 89.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -72.48 143.62 48.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.08 -32.01 31.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.09 86.79 4.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -159.39 123.04 3.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.09 147.38 33.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.412 ' HD2' ' CE2' ' A' ' 14' ' ' TRP . 50.7 Cg_exo -53.31 155.21 12.83 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.514 2.143 . . . . 0.0 112.285 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.9 m -72.83 160.91 81.72 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.538 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 54.1 Cg_exo -50.91 -48.71 19.63 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.571 2.181 . . . . 0.0 112.653 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 52.7 Cg_endo -69.56 -19.89 36.48 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.149 1.899 . . . . 0.0 112.467 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -83.24 -30.89 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.957 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -62.11 130.91 47.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -115.18 159.24 21.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.15 124.8 45.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.5 155.16 24.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.019 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.01 113.16 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -64.57 148.06 51.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.788 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.8 mt -139.71 -72.06 0.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 m 179.95 153.78 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 58.66 34.36 23.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 68.9 m 61.16 31.43 19.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -108.87 109.11 20.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.747 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.42 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 23.3 pt -102.24 170.13 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.283 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.56 124.87 43.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.3 mt -84.29 117.64 23.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -104.6 118.95 37.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 94.9 p -60.31 167.15 2.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.64 -39.14 94.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.547 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -60.2 -30.46 69.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.78 0.324 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.4 30.5 2.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -118.0 146.46 44.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -82.42 132.97 35.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.402 HD23 ' CE2' ' A' ' 45' ' ' PHE . 73.1 mt -70.83 120.7 16.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -131.16 134.14 7.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.519 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 pt -76.73 130.68 36.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -64.59 175.22 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 43.0 t -60.3 -41.19 92.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.21 -45.57 55.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.86 44.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.533 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.42 137.66 48.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.0 t -76.02 83.52 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.0 m -104.81 167.53 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -137.34 86.72 0.23 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -156.46 79.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.37 -47.69 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.1 t0 60.28 31.71 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -154.85 143.36 20.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.5 mm -71.04 110.55 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.204 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -131.87 168.22 22.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.6 -48.47 21.7 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.641 2.227 . . . . 0.0 112.304 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -64.99 -35.77 82.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 1.4 mp0 -74.37 -27.0 60.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.066 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -58.9 138.13 57.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.425 ' CE3' ' HA ' ' A' ' 118' ' ' ALA . 97.9 m95 -122.36 -179.99 4.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -165.26 95.1 0.86 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.968 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.09 145.47 61.13 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.477 2.118 . . . . 0.0 112.257 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.21 157.0 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.077 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -140.02 139.44 35.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.99 106.57 3.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 59.63 36.72 22.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.986 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.78 -39.53 2.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.466 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -59.54 167.05 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.767 0.318 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 2.8 ptp -154.09 155.2 34.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -160.95 118.25 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.8 tp -64.46 117.69 7.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.42 HD11 ' CD1' ' A' ' 123' ' ' PHE . 18.8 tp -100.25 131.51 46.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.425 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -82.44 171.15 14.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.2 t -67.52 -12.13 59.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -94.13 22.74 5.56 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.727 0.298 . . . . 0.0 111.165 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.85 32.19 19.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.895 0.378 . . . . 0.0 111.102 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.5 m -138.08 132.56 32.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.42 ' CD1' HD11 ' A' ' 117' ' ' LEU . 75.0 m-85 -67.44 -179.99 1.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.2 pt -110.86 145.65 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -156.45 143.7 19.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 20.7 p -93.54 156.3 16.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -105.01 176.08 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -86.86 -31.53 20.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.39 -34.66 68.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 124.26 46.2 0.26 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.437 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -136.92 110.13 7.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.8 mt -89.38 111.45 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.055 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -133.51 173.7 11.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -81.91 119.07 23.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.61 167.46 20.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -58.4 171.51 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -59.54 -33.57 71.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 82.2 p -64.63 120.02 11.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -92.14 116.66 29.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -95.33 175.18 33.02 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.446 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -37.01 85.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.842 0.353 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.52 -32.59 64.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.4 -25.99 66.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 11.6 mmt -55.54 120.82 7.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.033 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 2.0 pt -108.9 164.47 5.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -125.17 88.1 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 10.0 mt -68.77 93.12 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -85.6 147.97 26.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.87 151.37 48.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 25.3 p -117.64 36.21 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 t0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.907 0.384 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -147.7 133.36 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.1 95.8 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.63 -83.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.534 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.415 HG13 ' CD1' ' A' ' 14' ' ' TRP . 0.9 OUTLIER -132.47 30.92 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 111.062 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.415 ' CD1' HG13 ' A' ' 13' ' ' ILE . 56.7 m95 -134.93 134.92 41.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 37.1 p-90 -120.37 129.66 54.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.3 m -66.38 140.52 58.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.2 m -79.42 149.58 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.4 t -108.4 -32.84 7.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -132.12 179.62 5.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.415 ' CZ ' ' HA ' ' A' ' 72' ' ' SER . 27.0 t80 -74.66 -37.91 62.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.17 -28.37 64.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -75.22 -28.94 60.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.931 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.9 mt -70.23 102.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.013 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.1 m -164.06 135.8 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.45 -154.93 30.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 m -67.3 130.69 43.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 pt -145.23 149.45 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.42 147.78 40.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.0 mt -118.52 149.72 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -134.72 101.04 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.6 mtt -77.55 -47.48 19.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -98.51 178.17 5.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.56 86.85 6.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.67 -26.72 18.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.55 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.47 151.53 23.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -126.0 169.78 12.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.0 mt -74.3 113.03 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -99.93 141.83 32.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.416 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . . . -105.87 134.09 49.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.9 mt -88.44 143.35 27.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.92 -30.47 67.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -65.1 -38.51 90.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.82 -26.1 2.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.589 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mt -76.41 179.04 6.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.791 0.329 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.416 ' CE2' ' HB3' ' A' ' 39' ' ' ALA . 18.5 m-85 -132.92 141.36 48.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.791 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -140.1 162.6 34.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.9 tp -66.85 122.53 17.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.16 179.06 32.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.83 120.0 70.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.462 0.173 . . . . 0.0 111.077 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -52.23 146.96 29.46 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.417 2.078 . . . . 0.0 112.323 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -78.66 140.0 38.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -67.06 -34.59 78.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.83 156.55 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.43 -51.18 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -91.2 79.94 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -135.07 176.12 8.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -113.14 151.0 18.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.09 160.67 48.78 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.527 2.152 . . . . 0.0 112.324 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 m -74.55 162.6 72.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.514 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 51.9 Cg_exo -52.04 -48.0 23.81 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.604 2.203 . . . . 0.0 112.624 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 59.4 Cg_endo -72.42 -24.42 19.3 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.123 1.882 . . . . 0.0 112.385 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 20.7 mt-10 -76.92 -31.25 56.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -65.0 134.47 53.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.402 ' CE2' ' O ' ' A' ' 62' ' ' GLU . 99.4 m-85 -119.99 169.1 10.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.22 132.37 48.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.12 154.46 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -152.27 112.83 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.187 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -66.76 137.38 56.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.2 mt -122.28 -68.0 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.993 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.93 155.33 0.59 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 57.84 34.79 24.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.006 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 2.8 m 60.42 44.42 12.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -118.41 116.92 27.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.2 pt -110.09 142.31 22.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.36 123.41 46.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.9 mt -79.39 135.9 36.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -121.5 121.03 36.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 76.2 p -68.95 155.13 40.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.47 -29.06 65.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.555 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -66.04 -37.04 84.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.801 0.334 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 124.39 40.61 0.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -135.86 164.37 28.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -102.72 125.18 49.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.7 mt -64.46 127.64 32.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -144.51 153.15 24.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.574 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.9 pt -87.46 144.57 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.771 0.319 . . . . 0.0 111.16 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -83.63 175.88 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -31.46 60.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.5 -45.94 42.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.0 59.64 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.546 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.5 tp -144.41 149.07 35.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.864 0.364 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.7 t -92.7 96.8 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.6 m -110.42 177.99 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.06 93.58 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.88 38.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.374 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.77 122.12 25.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.74 -33.55 74.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.38 178.5 5.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.064 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 26.7 mt -135.28 85.28 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.175 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -91.72 -177.8 42.5 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.438 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.31 -43.39 54.18 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.568 2.179 . . . . 0.0 112.307 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -30.89 69.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.411 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 2.2 mp0 -82.05 -23.34 35.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -65.09 153.99 39.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 111.058 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.411 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 72.5 m95 -142.29 137.56 30.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.722 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.13 101.48 41.46 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.029 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.56 171.39 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.402 2.068 . . . . 0.0 112.229 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.8 t -152.63 96.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.204 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -99.95 120.77 40.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.795 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -142.97 121.66 12.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.022 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 57.93 31.64 20.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.51 -29.43 10.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.431 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -59.66 -179.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 6.0 ptm -168.59 129.08 1.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -143.91 153.33 42.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.049 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 tp -101.35 112.77 25.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.4 tp -94.62 123.36 38.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.51 168.95 17.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.7 t -71.93 -9.7 58.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.381 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 46.0 p30 -95.8 23.95 5.82 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.748 0.309 . . . . 0.0 111.201 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.88 37.69 26.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.088 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 21.0 m -146.69 129.61 16.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.861 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -65.99 179.59 0.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 20.2 pt -105.29 139.97 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.213 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.15 134.8 14.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 21.6 p -91.43 155.95 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -105.16 167.23 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -76.71 -31.71 57.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.63 -44.99 47.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 135.35 44.3 0.1 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.481 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -136.78 99.07 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.9 mt -76.37 107.03 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -116.94 173.45 6.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -94.16 102.23 14.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.96 163.47 12.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -53.13 172.85 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.164 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -59.34 -32.51 70.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 68.0 p -60.38 97.33 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -79.57 98.53 6.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -75.35 177.64 48.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -31.52 72.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -83.6 -32.01 25.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.75 -29.48 70.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.2 mmt -58.53 159.14 6.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 2.8 pt -136.06 174.22 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.211 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -133.18 99.85 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 4.6 mt -82.78 128.3 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 31.6 mtt-85 -123.37 156.01 36.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 28.2 t -131.28 133.87 45.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . 0.409 ' HB3' ' CD2' ' A' ' 14' ' ' TRP . 26.4 p -102.88 31.74 4.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.057 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.867 0.365 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.5 tp -141.35 145.38 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.17 89.56 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.1 -72.2 0.42 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.409 HG13 ' CD1' ' A' ' 14' ' ' TRP . 7.1 pt -150.73 30.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 111.124 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.421 ' CZ2' ' HD2' ' A' ' 58' ' ' PRO . 86.4 m95 -132.61 90.49 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 56.2 p-90 -85.35 135.84 33.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.17 139.22 48.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.4 m -75.98 174.03 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.6 m -128.71 -45.91 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -126.44 -178.29 4.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.407 ' CZ ' ' HA ' ' A' ' 72' ' ' SER . 70.3 t80 -69.22 -41.84 76.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.28 -27.69 63.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.583 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -75.99 -31.28 58.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.4 mt -72.47 107.15 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.056 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.9 m -164.42 138.28 5.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.43 -158.77 29.06 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.576 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.9 m -71.16 120.2 16.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.4 pt -137.97 145.92 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.55 162.15 14.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.3 mt -134.79 135.79 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.159 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -116.9 114.47 23.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 49.1 mtt -82.55 -50.26 8.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.7 -179.97 4.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.66 81.3 1.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.16 -27.29 16.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.8 133.47 41.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.751 0.31 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -117.73 148.87 41.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mt -60.92 97.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.044 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -78.99 143.3 35.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.412 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . . . -106.88 134.27 50.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.3 mt -94.5 144.82 25.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.76 -30.21 67.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -67.74 -38.18 83.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.47 -23.24 2.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.538 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.08 168.72 18.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.415 ' CE2' HD21 ' A' ' 84' ' ' LEU . 35.2 m-85 -131.1 127.84 38.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 t -124.21 168.81 12.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.4 tp -73.62 110.15 7.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.06 151.89 52.59 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.463 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.32 148.94 97.65 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.697 0.284 . . . . 0.0 111.055 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.86 147.88 56.73 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.585 2.19 . . . . 0.0 112.316 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -74.16 146.89 43.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -53.53 46.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -91.51 177.79 6.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.62 -31.14 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.68 91.67 4.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -159.44 146.42 16.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.775 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.51 144.4 19.03 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.421 ' HD2' ' CZ2' ' A' ' 14' ' ' TRP . 50.8 Cg_exo -53.84 163.56 2.93 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.49 2.127 . . . . 0.0 112.327 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.6 p -68.04 163.29 52.24 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.8 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.51 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 52.2 Cg_exo -51.51 -47.95 23.67 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.517 2.145 . . . . 0.0 112.67 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 62.3 Cg_endo -73.4 -24.0 16.9 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.083 1.855 . . . . 0.0 112.397 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -72.4 -38.39 68.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -61.48 104.29 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -89.31 149.85 22.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.838 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.35 114.03 27.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.94 151.44 31.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.23 113.42 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -72.04 148.4 45.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mt -133.55 -67.58 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 51.2 p -180.0 160.53 0.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.4 t0 59.42 31.07 20.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.978 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.407 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 0.8 OUTLIER 60.61 36.76 19.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -116.46 112.78 21.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.4 pt -103.96 164.35 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.22 135.34 52.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 26.7 mt -96.13 149.03 22.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.3 tttt -134.26 113.45 11.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 p -60.01 153.01 22.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.992 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.67 -27.66 68.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.544 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.19 -30.69 68.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 110.945 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.61 35.94 1.03 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.424 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -136.37 173.03 12.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -112.73 128.26 56.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.415 HD21 ' CE2' ' A' ' 45' ' ' PHE . 38.4 mt -60.07 121.54 12.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -135.43 148.02 19.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.549 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 pt -101.41 128.56 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 111.109 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -66.89 171.09 5.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.05 -33.68 73.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -67.42 -31.34 71.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.18 33.5 1.48 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.416 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.9 tp -110.63 148.29 32.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -89.36 117.19 32.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.2 m -139.34 178.49 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.214 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -163.72 106.52 0.28 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -157.88 31.27 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 t -120.56 132.75 55.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -98.48 31.0 2.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -156.41 164.03 38.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.6 mm -81.37 144.87 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.06 -172.17 22.48 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.449 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.02 -35.21 9.3 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.585 2.19 . . . . 0.0 112.283 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -75.69 -33.69 60.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.409 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 32.9 mp0 -76.39 -8.54 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.341 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -73.31 135.33 44.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.797 0.332 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.409 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 87.0 m95 -128.8 170.77 12.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -154.08 92.5 3.04 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -51.31 148.63 18.58 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.562 2.175 . . . . 0.0 112.375 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.11 111.81 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -93.31 137.92 32.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.967 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -140.26 98.86 3.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 60.0 49.56 7.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.95 -45.77 2.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.415 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -63.85 179.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.818 0.342 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.45 153.47 31.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.66 104.82 2.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.1 tp -61.23 124.14 19.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.421 HD12 ' CZ ' ' A' ' 123' ' ' PHE . 5.7 tp -98.12 121.02 39.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.57 166.66 10.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.065 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.8 t -61.68 -17.08 54.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -94.85 23.82 5.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.285 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.5 p 55.17 39.36 31.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.083 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 66.4 m -135.78 141.84 44.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.421 ' CZ ' HD12 ' A' ' 117' ' ' LEU . 91.1 m-85 -88.24 133.98 33.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 27.5 pt -61.38 149.41 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -164.05 135.32 4.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 27.4 p -84.14 172.72 11.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -122.78 179.66 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -86.79 -31.65 20.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.31 -42.38 25.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 132.81 49.83 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -142.75 106.63 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 31.2 mt -83.63 121.76 36.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.048 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -136.1 166.55 23.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -86.5 115.69 24.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.13 179.72 1.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.03 176.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -62.16 -46.4 89.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.9 m -59.93 135.1 57.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.414 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . . . -108.41 113.63 26.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -83.69 177.73 52.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.36 -31.84 70.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -80.41 -30.44 37.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -28.1 65.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 10.6 mmt -58.22 146.77 32.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 3.0 pt -130.37 171.79 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -119.93 105.34 10.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 19.7 mt -94.58 118.1 39.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 27.5 mtt-85 -108.5 152.73 24.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 46.1 t -129.55 149.14 51.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 15.4 p -115.95 32.16 6.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m 60.01 30.39 19.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -177.61 149.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.5 -84.12 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.515 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -163.48 90.43 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.6 p -92.82 131.52 37.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.88 -47.09 1.04 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.5 tp -109.63 132.56 54.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.763 0.316 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.84 99.02 1.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.5 tt -115.17 129.59 71.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.31 117.49 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.37 -89.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.418 HG13 ' CD1' ' A' ' 14' ' ' TRP . 43.7 pt -134.65 31.1 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 111.095 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.418 ' CD1' HG13 ' A' ' 13' ' ' ILE . 59.1 m95 -134.42 130.61 37.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 51.6 p-90 -127.54 141.39 51.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.14 134.32 50.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.2 m -72.91 163.77 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.1 m -106.33 -38.11 6.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.42 177.67 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' A' ' 72' ' ' SER . 46.3 t80 -58.33 -44.0 88.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.047 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.26 -24.82 38.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.654 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.79 -30.75 22.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.1 mt -72.05 90.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.053 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -150.43 144.46 25.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.11 -162.74 44.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.426 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -60.6 130.59 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.32 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 pt -147.81 164.5 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.404 ' HB3' ' CZ3' ' A' ' 14' ' ' TRP . . . -129.65 142.44 50.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.1 mt -114.27 146.83 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -127.82 116.02 19.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.0 mtt -86.3 -60.11 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.804 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.71 179.98 5.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -80.61 86.52 5.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.07 -30.48 8.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.82 143.48 29.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.834 0.349 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -119.46 159.97 23.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.2 mt -69.78 115.22 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -95.65 160.52 14.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.415 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -118.74 152.31 36.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.071 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.0 mt -119.96 144.78 47.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.95 -34.41 76.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -59.2 -26.5 64.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.989 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.68 30.34 2.03 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.568 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.6 mt -129.26 176.52 7.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.771 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.429 ' CZ ' ' CD2' ' A' ' 84' ' ' LEU . 19.6 m-85 -140.13 132.88 29.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 t -138.37 159.83 41.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.5 tp -70.82 115.74 10.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.76 157.38 52.53 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.406 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.45 143.59 85.56 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.627 0.251 . . . . 0.0 111.056 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.78 166.11 30.88 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.451 2.1 . . . . 0.0 112.326 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -90.94 145.87 24.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.86 -32.6 21.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.19 161.05 21.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -84.39 -41.84 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.57 98.14 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -156.78 151.2 25.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -96.61 158.57 21.51 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.502 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.42 171.55 15.96 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.583 2.188 . . . . 0.0 112.297 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.8 p -80.51 164.56 51.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.504 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 51.5 Cg_exo -53.18 -48.2 23.36 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.499 2.133 . . . . 0.0 112.63 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 60.5 Cg_endo -72.87 -26.3 15.75 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.173 1.915 . . . . 0.0 112.33 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.4 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 9.5 mt-10 -70.57 -31.62 68.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -73.63 156.55 37.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.418 ' CD1' HD11 ' A' ' 84' ' ' LEU . 91.4 m-85 -136.91 147.06 46.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.68 119.62 38.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.36 144.29 25.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.01 120.27 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -69.26 146.53 52.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.804 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.6 mt -133.39 -73.36 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.94 159.03 0.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.09 34.13 21.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.991 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.423 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 3.1 t 60.5 43.64 12.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 -120.84 129.92 53.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.8 pt -118.91 148.62 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.19 126.97 51.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.4 mt -97.97 134.46 41.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -119.0 116.84 27.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.3 p -61.45 152.24 30.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.77 -30.26 68.94 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -62.49 -30.8 71.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.1 35.21 1.14 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.517 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -135.67 171.39 14.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.785 0.326 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -103.06 136.53 42.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.429 ' CD2' ' CZ ' ' A' ' 45' ' ' PHE . 96.0 mt -71.44 98.61 1.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -116.5 129.18 8.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 pt -72.66 132.88 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 111.145 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -76.74 175.63 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m -63.82 -38.83 92.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.61 -31.11 70.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 111.73 28.15 3.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.6 tp -105.4 127.81 53.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -64.32 108.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.068 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.8 m -127.51 164.75 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.147 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.32 96.55 0.2 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.545 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -150.27 63.73 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.798 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.26 135.8 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.84 30.55 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.34 166.77 22.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.2 mt -104.41 79.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -89.81 178.07 43.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -51.19 -49.16 17.99 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.598 2.199 . . . . 0.0 112.321 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 42.3 mtt85 -62.02 -30.91 71.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 26.9 mp0 -74.4 -30.64 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -63.44 144.27 57.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.405 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 94.8 m95 -131.67 166.62 21.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.68 93.82 4.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -68.62 154.11 72.13 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.436 2.091 . . . . 0.0 112.269 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.3 t -128.78 158.79 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.228 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -149.42 108.7 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -136.01 119.35 16.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 59.14 28.85 18.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.93 -28.38 12.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.518 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -62.41 179.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -174.39 148.43 1.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.413 ' HB2' ' CD1' ' A' ' 123' ' ' PHE . . . -157.81 135.58 10.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.6 tp -75.77 105.73 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.57 132.25 35.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.52 172.05 13.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.5 t -70.16 -9.87 57.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.275 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 47.4 p30 -94.08 22.09 6.17 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.242 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 m 56.02 48.09 18.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.891 0.376 . . . . 0.0 111.043 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.3 m -155.6 140.04 16.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.413 ' CD1' ' HB2' ' A' ' 115' ' ' ALA . 32.7 m-85 -69.73 -179.91 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 17.9 pt -135.72 148.65 28.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.232 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -162.23 173.78 13.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 49.5 t -122.2 156.83 32.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -100.84 179.86 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.71 -33.18 73.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.85 -30.63 68.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 112.2 30.98 2.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.465 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -107.1 104.25 13.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 17.4 mt -84.45 110.9 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.11 168.14 19.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -85.46 128.33 34.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.64 173.79 7.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -60.46 173.35 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -59.87 -28.56 67.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 81.1 p -57.93 125.53 23.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -96.63 102.49 14.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.085 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -75.27 176.5 49.88 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -68.08 -40.56 82.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.92 -28.22 60.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.26 -30.03 64.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 32.8 mmt -59.33 122.65 14.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 25.4 pt -109.56 166.22 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -117.28 100.66 7.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 27.6 mt -77.94 126.77 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -123.82 139.41 54.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.5 t -113.89 152.66 30.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 10.3 p -130.45 32.58 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -80.67 -176.82 5.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.45 119.9 14.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -84.11 -175.85 5.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -115.4 31.63 6.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.93 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 t -168.72 109.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 t -100.28 33.57 2.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.35 -164.87 12.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.535 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m -121.62 91.34 3.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.0 m -81.99 -44.41 16.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.05 83.69 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.91 143.13 50.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.99 143.13 50.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.8 tt -163.16 128.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.4 t -121.33 94.11 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.2 -80.62 0.72 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.417 HG13 ' CD1' ' A' ' 14' ' ' TRP . 13.8 pt -140.62 30.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 111.124 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.417 ' CD1' HG13 ' A' ' 13' ' ' ILE . 87.5 m95 -134.28 103.77 5.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -103.89 137.37 41.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 m -66.07 133.6 51.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.6 m -66.46 -179.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -141.23 -47.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -124.57 176.04 6.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.421 ' CE2' ' HA ' ' A' ' 72' ' ' SER . 76.0 t80 -63.12 -30.62 71.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.06 -29.38 72.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.457 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.05 -31.85 73.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.0 mt -75.03 106.0 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.051 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.2 m -161.6 135.71 6.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.95 -141.04 27.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.8 m -72.04 138.85 48.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.4 pt -149.66 179.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.92 142.17 20.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mt -111.69 141.04 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -125.3 117.56 24.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 31.6 mtt -90.72 -49.76 6.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.65 174.76 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -78.39 82.01 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.14 -32.98 5.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.61 133.62 33.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 111.066 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -116.42 174.61 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.2 mt -79.45 114.15 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -97.61 157.94 15.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -118.4 148.0 42.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.8 mt -114.43 155.6 26.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -79.92 -31.65 40.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -59.5 -29.7 68.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.57 35.38 1.0 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.13 172.5 12.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.723 0.297 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.449 ' CZ ' ' CD2' ' A' ' 84' ' ' LEU . 12.1 m-85 -131.18 119.35 21.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 t -122.32 175.88 6.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.5 tp -87.75 111.75 21.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.49 159.08 30.71 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.486 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.41 141.85 88.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.692 0.282 . . . . 0.0 111.049 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.21 155.22 51.88 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.526 2.15 . . . . 0.0 112.331 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -85.31 163.8 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -95.91 -46.09 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.84 146.18 26.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -73.39 -36.12 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -87.09 65.44 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -145.92 127.39 15.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.31 166.08 49.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.53 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.23 163.32 34.77 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.575 2.183 . . . . 0.0 112.274 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.4 m -70.95 163.91 61.03 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.503 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 51.7 Cg_exo -54.32 -47.46 26.8 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.602 2.202 . . . . 0.0 112.679 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 70.8 Cg_endo -74.9 -24.48 13.02 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.248 1.965 . . . . 0.0 112.524 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -70.46 -30.81 67.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -75.58 130.13 38.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -109.68 150.88 27.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.03 129.05 44.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.45 138.61 31.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.03 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -137.01 114.48 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.262 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.69 141.73 55.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.701 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 mt -125.73 -75.79 0.59 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.046 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.6 p 179.91 159.11 0.76 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 57.99 40.25 25.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.421 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 49.8 m 61.26 31.35 19.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 50.0 mmm-85 -108.17 142.11 38.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.402 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 12.2 pt -133.7 146.97 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.06 130.42 53.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.9 mt -93.11 157.81 16.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -141.29 145.41 35.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.7 p -83.04 153.74 24.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.93 -28.54 66.22 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.529 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -73.75 -50.01 22.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 141.6 53.26 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.562 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -147.85 135.89 21.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -73.28 126.86 31.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.449 ' CD2' ' CZ ' ' A' ' 45' ' ' PHE . 90.5 mt -63.41 109.97 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -120.27 152.28 17.02 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.544 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.8 pt -94.46 153.4 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 111.114 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -93.34 179.24 5.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.5 m -75.81 -37.99 58.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.94 -41.39 74.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 131.11 43.49 0.18 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.4 tp -126.39 130.39 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.4 t -78.51 119.51 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.9 m -132.34 179.59 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.42 84.78 0.17 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.447 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -136.52 31.76 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.33 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 m -142.08 130.95 22.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.71 32.09 3.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -127.35 150.97 49.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.9 mt -90.54 89.46 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.92 167.24 15.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.436 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -51.95 -52.47 8.9 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.533 2.155 . . . . 0.0 112.348 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -59.65 -30.89 69.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.96 -29.29 61.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -64.73 165.92 9.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -143.4 151.35 40.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -122.1 89.1 48.5 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.58 152.97 25.17 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.61 2.207 . . . . 0.0 112.201 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -136.44 144.95 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.419 ' CD2' ' HB3' ' A' ' 114' ' ' MET . 38.0 m-85 -145.21 129.72 17.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -148.92 116.48 6.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.52 33.9 20.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.45 -39.26 2.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -61.82 179.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.419 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 1.4 ptt? -169.5 155.25 6.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.39 123.18 5.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.1 tp -70.86 116.4 11.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.4 tp -99.72 118.2 35.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.14 167.03 3.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 t -68.97 -12.2 61.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.334 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 35.8 p30 -95.44 25.47 4.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.658 0.266 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.21 41.23 29.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.994 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 40.0 m -142.1 141.05 32.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.967 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -78.67 132.22 36.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.54 158.75 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 59.6 ttt-85 -170.14 163.55 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 17.3 p -99.34 179.99 4.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -128.35 179.88 5.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -83.34 -43.78 15.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.24 -32.93 69.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 121.26 57.46 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.439 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -139.32 101.65 4.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.807 0.337 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.6 mm -69.66 108.22 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -134.01 169.53 16.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -90.75 146.46 23.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.47 179.95 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.28 162.83 4.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -59.9 -30.95 69.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.65 119.06 6.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -84.06 158.94 21.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.096 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -156.9 -179.91 32.21 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.54 -44.38 90.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.85 -36.94 70.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -64.14 -29.18 70.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.3 mmt -58.28 158.24 7.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 9.3 pt -141.19 173.4 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.65 115.67 13.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 27.6 mt -100.32 147.09 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -138.28 149.92 46.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 46.1 t -119.44 158.72 25.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 14.0 p -121.79 35.47 4.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -70.94 175.46 5.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.99 97.91 10.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -94.25 164.82 12.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -121.47 117.43 26.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.884 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.154 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -174.35 148.09 1.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.363 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.83 -50.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.39 -158.89 8.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m 60.23 31.56 20.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.37 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 m -112.96 99.56 7.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.82 -155.29 7.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.554 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -76.09 129.77 37.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.35 110.98 17.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 tt -122.36 134.58 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.71 89.14 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.59 -83.54 0.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 pp -136.67 30.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.424 ' CE2' ' HD2' ' A' ' 58' ' ' PRO . 88.6 m95 -135.47 112.3 10.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.422 ' CD1' ' HD3' ' A' ' 153' ' ' ARG . 20.3 p-90 -111.73 142.95 43.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.73 158.08 35.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 m -98.37 169.42 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.149 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.1 -44.99 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -123.56 178.51 5.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.409 ' CZ ' ' HA ' ' A' ' 72' ' ' SER . 25.7 t80 -66.68 -32.5 73.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.67 -28.54 68.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -71.37 -30.36 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 111.008 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.8 mt -70.07 91.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.8 p -156.66 138.19 14.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.57 -134.11 12.4 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.538 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.1 m -92.5 129.0 38.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.9 pt -134.71 169.2 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.43 117.06 11.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.9 mp -90.53 139.11 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -123.29 120.34 32.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.4 mtp -94.17 -51.06 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -100.0 171.3 7.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -76.67 80.97 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.57 -27.57 6.84 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.56 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.96 157.24 20.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -135.03 169.13 17.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.0 mt -77.69 114.69 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -108.9 143.43 38.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -107.63 156.86 18.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.9 mt -114.66 145.41 42.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.15 -33.2 70.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -62.81 -30.26 71.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 129.9 -24.38 4.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.612 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.71 166.61 23.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.754 0.311 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.406 ' CE2' HD22 ' A' ' 84' ' ' LEU . 11.5 m-85 -128.73 123.58 33.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.0 t -118.38 166.8 12.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.4 tp -84.49 112.68 20.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.41 143.89 48.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.84 148.92 74.85 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.668 0.271 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.72 138.21 34.27 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.577 2.184 . . . . 0.0 112.275 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -60.51 163.42 5.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.14 -56.15 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -74.28 163.78 27.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.2 p -83.5 -31.11 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.52 86.44 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -153.52 129.7 10.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.81 164.99 45.3 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.424 ' HD2' ' CE2' ' A' ' 14' ' ' TRP . 53.2 Cg_endo -69.8 150.69 68.3 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.54 2.16 . . . . 0.0 112.329 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.46 162.94 22.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.531 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 59.8 Cg_exo -50.3 -50.61 13.0 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.582 2.188 . . . . 0.0 112.707 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 37.8 Cg_endo -66.41 -25.55 48.66 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.133 1.889 . . . . 0.0 112.19 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 76.7 mt-10 -78.98 -27.73 43.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -71.28 113.46 8.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' A' ' 62' ' ' GLU . 94.8 m-85 -97.53 152.78 18.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.9 m -116.26 119.36 35.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.57 145.41 24.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.92 110.92 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -61.99 153.24 30.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mt -136.46 -65.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.02 151.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.59 34.2 20.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.409 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 3.5 m 60.98 42.33 12.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 -117.33 109.0 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.8 pt -98.66 157.53 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.94 112.58 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.9 mt -76.87 143.44 39.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -131.31 119.69 22.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.3 p -59.61 149.86 29.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.33 -27.89 61.12 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -60.49 -38.69 85.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.2 42.57 0.29 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -145.93 164.56 31.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.899 0.381 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -96.8 140.15 31.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.406 HD22 ' CE2' ' A' ' 45' ' ' PHE . 75.7 mt -74.31 106.98 6.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -117.6 126.96 7.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.522 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.4 pt -72.05 133.56 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 111.096 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -78.37 172.79 13.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t -60.33 -31.58 70.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.06 -35.95 48.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.831 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 118.55 36.31 0.92 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.0 tp -108.27 138.19 44.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.02 103.8 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.05 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.3 m -122.61 176.07 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -155.62 93.05 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.573 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -141.87 35.8 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.807 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.08 160.22 32.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -121.39 31.95 6.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.47 -179.86 7.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -110.83 97.91 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.79 174.39 21.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.545 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.54 -51.25 11.56 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.596 2.198 . . . . 0.0 112.325 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -59.77 -28.9 67.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.41 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 3.0 mp0 -77.28 -25.7 51.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.15 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -57.89 146.85 30.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.114 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.41 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 96.1 m95 -131.09 -179.95 5.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.786 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -161.8 90.16 1.45 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.7 170.21 17.02 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.537 2.158 . . . . 0.0 112.241 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -146.93 156.98 10.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.41 ' CD2' ' HB3' ' A' ' 114' ' ' MET . 83.7 m-85 -149.69 114.37 5.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -145.84 132.94 20.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 57.9 25.26 11.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.99 -29.67 9.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.559 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -67.79 179.3 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 110.976 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.41 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 5.3 ptp -167.21 128.89 1.61 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.31 128.84 30.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.7 tp -78.74 121.16 24.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 21.8 tp -101.94 121.62 42.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.72 170.23 12.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.2 t -73.09 -8.41 55.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.334 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -95.97 25.5 4.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.764 0.316 . . . . 0.0 111.167 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 m 55.51 30.5 15.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.156 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.1 m -140.29 127.35 20.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -60.53 -179.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.2 pp -116.57 156.8 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.3 153.95 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 18.4 p -97.49 174.29 6.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -128.84 179.76 5.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -81.78 -36.76 28.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.89 69.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 115.42 31.52 1.98 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.563 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -120.74 116.02 24.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 30.8 mt -95.36 96.58 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -117.18 167.39 11.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -81.86 130.38 35.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -84.9 171.02 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -63.28 179.28 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -34.14 73.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.54 107.54 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -90.63 132.27 35.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -111.88 -179.99 19.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.535 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.81 -32.25 73.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.83 -31.53 63.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -65.19 -29.49 70.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.008 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.9 mmt -58.35 137.19 57.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 13.1 pt -126.85 168.97 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -121.79 103.16 8.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 23.3 mt -87.83 117.81 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -104.48 169.79 8.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 31.2 t -140.37 152.89 46.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . 0.411 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 26.5 p -136.08 31.36 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -83.25 -176.75 6.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -84.7 98.8 10.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . 0.422 ' HD3' ' CD1' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -67.05 171.89 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -96.74 65.44 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 20.0 p . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.972 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 m -161.97 -51.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.27 144.27 26.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.33 -136.45 2.26 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -150.21 97.8 2.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.43 168.99 0.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.67 153.47 5.94 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -73.87 141.29 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.52 117.25 4.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 tt -151.69 128.07 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.9 99.59 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.79 -83.98 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.418 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.406 HG13 ' CD1' ' A' ' 14' ' ' TRP . 19.8 pt -143.35 30.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 111.136 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.407 ' CE3' ' HB3' ' A' ' 150' ' ' CYS . 61.2 m95 -137.08 130.68 31.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -130.56 134.02 46.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 84.8 m -62.36 123.54 18.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.3 m -65.68 179.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -127.01 -44.87 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -124.63 -178.76 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.418 ' CZ ' HG21 ' A' ' 74' ' ' ILE . 66.7 t80 -72.2 -35.64 68.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.12 -27.34 59.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.588 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.5 -30.14 61.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.1 mt -68.73 97.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 83.8 p -156.91 142.2 17.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.48 -128.6 8.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 m -93.96 136.58 34.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.7 pt -149.34 141.31 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.46 131.83 54.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.1 mt -105.65 127.75 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.112 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -108.79 124.85 51.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.7 mtp -99.64 -48.93 4.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.91 179.97 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.813 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 85.41 4.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.795 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.23 -29.72 10.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.424 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.81 161.13 27.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.997 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -140.41 154.84 46.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.9 mt -62.37 105.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -88.68 152.14 22.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.405 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -112.69 126.05 54.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.9 mt -86.17 174.83 8.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -94.94 -34.9 12.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -60.18 -31.45 70.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.99 40.25 0.42 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.528 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mt -140.91 179.96 6.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.405 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 32.6 m-85 -140.43 119.49 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 t -117.58 161.45 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.19 111.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.93 145.38 43.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.77 134.46 95.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.567 0.223 . . . . 0.0 111.054 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.8 150.5 78.86 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.461 2.107 . . . . 0.0 112.28 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -95.69 132.26 41.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -62.36 -51.21 68.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -72.54 151.77 42.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.6 t -81.1 -30.45 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -95.1 44.41 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -107.88 111.54 23.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.02 161.0 47.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.14 168.99 20.45 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.601 2.201 . . . . 0.0 112.326 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 55.2 m -99.91 163.17 18.92 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.685 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.528 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 78.2 Cg_exo -48.93 -51.04 11.26 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.455 2.103 . . . . 0.0 112.846 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 37.2 Cg_endo -65.57 -25.49 54.94 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.096 1.864 . . . . 0.0 112.223 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -85.51 -31.29 22.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -68.06 155.94 38.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.423 ' CE1' HD12 ' A' ' 84' ' ' LEU . 98.3 m-85 -134.62 163.01 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 m -126.8 134.17 50.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.44 165.19 12.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -151.98 101.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -60.92 119.79 8.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.812 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.5 mt -112.42 -73.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.99 157.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 59.31 33.6 22.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.416 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 14.7 m 60.58 39.04 18.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.72 114.57 22.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.418 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 9.6 pt -105.3 149.75 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.16 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.21 100.82 11.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.7 mt -61.02 160.26 10.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -156.65 118.76 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 64.9 p -67.94 154.99 40.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.61 -30.82 69.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -59.92 -30.61 69.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.58 38.18 1.11 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.45 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -130.34 161.73 30.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -96.6 124.22 40.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.423 HD12 ' CE1' ' A' ' 64' ' ' PHE . 12.2 mt -66.04 120.02 12.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.844 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -135.52 157.6 23.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 pt -111.37 141.71 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -72.5 171.07 13.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.805 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.1 -33.99 72.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.88 -33.27 65.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 123.06 45.67 0.29 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.514 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 tp -125.35 120.32 30.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.6 t -73.03 109.38 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.7 m -134.54 139.97 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.063 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -110.65 90.17 0.57 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -158.44 45.09 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.3 t -112.2 -37.57 4.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 60.97 33.92 19.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -160.45 165.2 31.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.073 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.3 mt -95.86 84.32 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.27 166.71 24.53 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.566 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.46 -36.63 70.66 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.557 2.171 . . . . 0.0 112.314 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -74.31 -31.07 62.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.411 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 8.5 mp0 -65.38 -30.07 70.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.99 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -64.97 141.08 58.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.411 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 86.7 m95 -124.75 143.76 50.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -114.87 91.79 27.64 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.008 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.53 125.26 12.55 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.47 2.114 . . . . 0.0 112.215 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 19.1 t -97.13 159.79 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -146.53 125.03 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.81 117.29 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.97 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 57.67 34.42 24.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.035 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.06 -38.94 2.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -58.36 176.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 6.0 ptp -160.29 152.76 20.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -151.57 128.28 10.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.3 tp -77.56 112.97 14.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.0 tp -98.48 132.2 44.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.07 168.05 20.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 44.2 t -66.76 -13.8 61.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.224 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 34.5 p30 -94.44 22.53 6.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.246 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.3 m 55.12 33.77 21.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.847 0.356 . . . . 0.0 111.051 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 56.7 m -130.95 130.99 44.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.411 ' CE2' ' HB3' ' A' ' 139' ' ' ALA . 22.4 m-85 -65.65 -179.98 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 14.9 pt -126.71 162.57 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -176.47 143.91 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 26.4 p -85.83 147.76 26.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -94.14 171.81 8.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -31.28 72.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.33 -34.79 21.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.065 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 135.24 -23.88 3.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.644 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -57.01 109.01 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.789 0.328 . . . . 0.0 110.984 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.7 mt -88.38 119.67 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -128.79 175.11 8.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -101.29 115.74 31.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.43 167.43 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -59.49 178.34 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -59.05 -24.92 63.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 12.1 p -55.03 107.18 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.411 ' HB3' ' CE2' ' A' ' 123' ' ' PHE . . . -87.11 112.7 22.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -94.93 178.44 36.14 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.558 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.63 -37.68 88.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.34 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -73.55 -31.49 63.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.19 -31.05 69.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 29.8 mmt -59.68 116.83 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 4.3 pt -110.07 169.86 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -130.39 94.32 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 19.6 mt -75.37 118.35 21.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.135 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -108.64 154.75 21.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 10.7 t -132.44 134.32 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . 0.407 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 26.7 p -99.62 36.67 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -81.98 171.74 14.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -66.18 102.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -61.13 -177.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.15 93.59 6.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.91 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.38 -174.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -67.04 159.82 27.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.87 93.61 1.75 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -90.03 143.57 26.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 t -144.56 87.28 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.14 -153.86 7.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 tp -133.1 148.8 52.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 0.0 110.959 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.78 116.72 29.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 tt -120.93 130.09 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.0 t -120.69 88.86 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.06 -81.1 0.25 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.9 pt -133.01 31.11 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.354 . . . . 0.0 111.102 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -135.8 116.37 13.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 51.1 p-90 -114.85 139.24 49.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.4 m -64.19 128.86 37.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.4 m -63.55 164.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.39 -31.99 7.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -162.04 -178.74 6.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.427 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 22.0 t80 -57.84 -40.24 79.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.09 -26.04 41.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.663 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -84.65 -31.04 24.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.436 HD11 HG22 ' A' ' 23' ' ' ILE . 36.5 mt -74.26 105.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.048 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.1 t -172.75 93.15 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.61 -158.83 22.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.3 m -66.37 117.2 8.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.722 0.296 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 pp -139.48 163.51 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.04 162.61 24.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.8 mp -132.48 128.13 57.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -108.84 111.85 23.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 6.8 mtt -86.52 -46.26 10.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.63 178.89 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -88.41 80.15 7.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.54 -27.39 6.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.488 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.35 167.5 11.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.845 0.355 . . . . 0.0 111.074 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -141.43 169.95 16.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.7 mt -75.29 118.23 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -106.66 151.24 25.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.38 167.26 10.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.0 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.4 mt -135.48 145.09 46.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -65.15 -31.33 72.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -60.01 -31.77 70.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.08 36.39 0.95 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.521 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.5 mt -140.69 158.78 43.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -119.59 125.67 49.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.4 t -124.07 167.09 14.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.2 tp -79.7 110.11 14.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.66 173.35 4.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.15 140.52 49.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.656 0.265 . . . . 0.0 111.053 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.61 126.6 11.62 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.494 2.129 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -61.82 158.74 15.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.95 -64.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -76.08 157.97 32.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -76.57 -54.51 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.37 77.06 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -140.95 134.09 29.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.25 148.91 28.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.42 158.9 55.69 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.661 2.241 . . . . 0.0 112.418 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.426 ' HB3' ' HD2' ' A' ' 61' ' ' PRO . 0.3 OUTLIER -72.57 159.46 85.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.523 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 58.0 Cg_exo -49.96 -52.07 9.62 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.456 2.104 . . . . 0.0 112.776 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 35.9 Cg_endo -64.66 -24.94 62.0 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.18 1.92 . . . . 0.0 112.282 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -77.1 -31.72 56.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -66.3 137.27 56.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.415 ' CE1' HD12 ' A' ' 84' ' ' LEU . 77.7 m-85 -118.27 161.96 19.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.23 124.35 48.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.06 130.91 53.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.2 t -127.74 136.75 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -72.11 154.75 40.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.4 mt -138.06 -75.2 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.4 p 179.93 150.51 0.37 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.34 38.34 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.029 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.421 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER 62.01 35.35 16.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -112.67 120.76 42.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.427 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 16.4 pt -112.36 150.13 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.93 128.25 54.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.031 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.0 mt -94.82 156.71 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -147.84 134.14 19.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.789 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.3 p -70.87 160.99 31.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.987 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.63 -28.59 72.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -64.78 -42.64 94.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.06 42.82 0.21 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.544 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -137.86 137.61 38.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -78.49 129.52 34.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.415 HD12 ' CE1' ' A' ' 64' ' ' PHE . 85.1 mt -64.64 106.37 1.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -115.08 139.62 15.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.6 pt -85.51 156.82 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 111.125 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -108.0 166.63 10.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 p -62.37 -38.95 91.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.02 -31.53 72.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 112.39 28.54 3.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.549 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tp -106.39 138.18 43.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -83.23 110.45 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.4 m -128.49 163.15 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.45 80.25 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -132.56 35.81 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -139.28 131.84 28.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -98.96 31.48 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -121.06 -175.52 3.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.2 mt -131.74 84.09 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.172 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.95 -160.29 21.7 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 -42.22 3.68 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.577 2.185 . . . . 0.0 112.378 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.72 -32.82 74.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.402 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 12.3 mp0 -73.74 -27.73 61.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.974 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -62.98 167.25 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.016 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.402 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 86.3 m95 -150.92 168.54 24.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -144.4 93.76 5.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.22 147.6 66.7 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.521 2.147 . . . . 0.0 112.232 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.0 t -132.72 150.19 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.17 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -127.4 139.19 53.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.773 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -149.96 104.66 3.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 58.35 42.9 20.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.37 -44.32 2.46 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.457 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -58.76 172.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.82 146.66 23.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -143.04 124.42 14.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 40.8 tp -76.45 105.19 7.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.0 tp -88.05 129.7 35.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.82 163.85 27.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.4 t -66.26 -15.42 63.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.27 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -95.95 26.3 4.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.704 0.288 . . . . 0.0 111.174 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.1 p 55.83 44.76 25.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 111.05 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 91.1 m -137.83 133.28 33.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -81.73 122.74 28.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.2 pt -61.91 159.79 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -171.27 174.29 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.0 p -115.14 165.95 12.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -126.03 152.98 45.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.04 -31.36 69.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.59 -42.77 61.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.084 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 127.67 44.65 0.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -130.19 118.43 21.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 29.9 mm -92.05 99.29 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -123.32 173.75 7.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -96.95 130.83 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.44 -179.9 5.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.787 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.23 172.55 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -60.66 -31.86 71.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 14.3 p -59.82 115.45 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -94.75 111.62 23.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -90.43 174.6 40.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -60.14 -33.07 71.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -76.56 -37.11 57.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -61.61 -29.5 70.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 37.6 mmt -58.53 132.66 54.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 9.0 pt -119.28 179.98 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -136.57 101.88 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 20.7 mt -83.84 134.75 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.176 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 31.1 mtt-85 -130.49 133.14 46.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 38.6 t -98.3 165.03 12.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 26.3 p -121.74 31.63 6.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -80.71 -177.64 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -86.92 110.13 19.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -60.1 -179.49 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -103.52 32.68 3.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.909 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 112.421 -0.272 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -139.52 160.21 40.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.3 m -134.58 93.71 3.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.04 39.46 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.6 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -113.77 -31.74 6.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.813 0.339 . . . . 0.0 110.964 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.14 96.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.45 136.03 27.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 tp -104.21 81.72 1.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.814 0.34 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -60.0 110.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 tt -113.17 129.31 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.2 101.12 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.8 -79.92 0.25 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.414 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.1 pp -143.2 30.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 111.082 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.414 ' CD1' HG13 ' A' ' 13' ' ' ILE . 34.3 m95 -135.07 136.92 42.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -117.73 117.58 29.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.3 m -60.02 134.48 57.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 m -83.51 169.02 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.8 t -126.89 -45.22 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -112.1 176.14 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.418 ' CE2' ' HE3' ' A' ' 68' ' ' LYS . 79.3 t80 -71.83 -31.74 66.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.67 -28.05 62.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.556 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -70.96 -28.93 64.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.723 0.297 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.5 mm -60.3 103.32 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 p -171.69 140.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.53 -163.51 48.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.519 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.0 m -69.83 130.15 41.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.753 0.311 . . . . 0.0 110.81 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.6 pp -144.68 153.18 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.87 147.0 40.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.043 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.0 mp -119.9 112.16 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.417 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 27.7 tt0 -93.89 118.83 31.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.5 mtt -84.51 -63.43 1.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.94 175.43 6.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -74.05 81.68 1.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.05 -27.85 7.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.467 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.06 140.98 29.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.731 0.301 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.417 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 43.7 m-85 -126.8 159.59 33.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.809 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.8 mt -70.47 107.56 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -90.87 143.81 26.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.402 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -98.51 145.19 27.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.111 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.7 mt -120.86 136.05 55.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.36 -29.52 69.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -57.45 -27.39 62.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.056 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.25 30.79 2.0 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 mt -137.89 -179.94 6.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.409 ' CE2' HD23 ' A' ' 84' ' ' LEU . 29.0 m-85 -141.75 129.73 21.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.9 t -135.47 161.62 34.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.6 tp -72.11 110.83 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.038 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.82 162.24 16.58 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.458 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.27 143.2 98.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.643 0.258 . . . . 0.0 111.132 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.44 146.5 44.79 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.59 2.193 . . . . 0.0 112.277 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -80.08 158.96 26.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -74.49 -48.47 27.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -98.69 133.88 42.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.78 -49.72 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -74.1 68.72 1.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -143.61 146.1 33.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.95 152.99 32.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.466 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.71 154.99 70.27 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.566 2.178 . . . . 0.0 112.372 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.55 159.66 66.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.56 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 76.8 Cg_exo -49.18 -49.56 15.07 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.641 2.227 . . . . 0.0 112.793 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 36.2 Cg_endo -65.49 -22.86 58.42 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.136 1.891 . . . . 0.0 112.277 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -83.63 -31.06 26.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.863 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -65.24 114.58 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.417 ' CE1' HD13 ' A' ' 84' ' ' LEU . 89.5 m-85 -101.36 173.08 6.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.74 136.98 52.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.11 144.95 31.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.8 110.33 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.418 ' HE3' ' CE2' ' A' ' 20' ' ' PHE . 7.9 mtpt -69.5 109.38 4.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.5 mt -90.94 -69.82 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.01 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.7 m 179.93 162.34 0.98 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 58.18 36.91 26.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.416 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 0.1 OUTLIER 60.75 32.74 20.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -114.8 130.08 56.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.9 pt -109.88 165.94 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.189 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.01 106.78 11.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.9 mt -74.12 141.65 45.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -139.77 129.12 24.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.15 160.77 30.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.65 -29.3 71.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.513 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -62.22 -30.43 71.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.706 0.289 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.03 31.21 2.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -125.83 149.05 48.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -88.98 133.85 34.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.417 HD13 ' CE1' ' A' ' 64' ' ' PHE . 20.1 mt -69.87 147.86 49.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.17 159.56 32.41 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.565 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.3 pt -105.97 144.41 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 111.155 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -80.87 178.65 8.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -66.02 -30.95 71.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.5 -39.19 47.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 141.04 -20.74 2.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.633 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.13 143.8 37.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 0.0 111.029 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.0 t -98.44 111.4 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.057 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.2 m -120.4 176.82 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -145.51 86.96 0.17 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.07 54.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.924 0.393 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.2 t -116.96 -39.91 3.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 61.53 31.76 18.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -167.29 168.93 12.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.045 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.6 mt -89.28 131.95 35.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.77 164.92 28.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.82 -45.48 40.36 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.565 2.177 . . . . 0.0 112.316 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -73.35 -41.34 63.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.401 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 0.7 OUTLIER -59.83 -29.66 68.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.982 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -63.05 165.48 6.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.419 ' CE3' ' HA ' ' A' ' 118' ' ' ALA . 81.7 m95 -143.77 179.61 7.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -160.95 94.04 1.47 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.98 141.39 44.2 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.434 2.089 . . . . 0.0 112.243 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.94 127.45 74.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.406 ' CD2' ' HB3' ' A' ' 114' ' ' MET . 5.3 m-85 -116.1 125.97 53.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.05 131.44 14.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.35 45.3 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 62.91 28.13 71.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -125.05 -179.94 4.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.791 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.406 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 2.4 ptp -153.49 156.25 37.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -167.55 112.08 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.7 tp -63.79 128.5 36.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.401 HD13 ' CD1' ' A' ' 123' ' ' PHE . 16.0 tp -110.73 125.09 53.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.419 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -68.78 168.53 13.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.5 t -68.56 -12.25 61.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.244 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -94.92 24.01 5.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.167 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 55.55 30.92 16.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.829 0.347 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 7.2 m -133.02 126.57 32.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.401 ' CD1' HD13 ' A' ' 117' ' ' LEU . 68.1 m-85 -60.59 176.73 0.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 12.3 pt -102.87 156.78 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -163.09 155.84 18.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 7.2 p -110.21 126.54 54.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -75.39 165.13 25.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.45 -31.44 53.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.42 -39.09 65.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.032 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 129.9 55.14 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -149.13 117.25 6.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 28.8 mm -81.17 104.15 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.147 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.72 175.16 5.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -96.81 136.99 36.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.91 164.24 12.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.771 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -55.55 172.53 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.01 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -59.3 -46.93 87.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 61.8 p -60.52 99.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -86.29 119.14 26.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.045 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -71.84 176.76 39.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -64.2 -35.79 81.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -83.44 -27.06 29.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -28.07 54.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.019 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.5 mmt -58.01 154.28 12.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 22.1 pt -135.26 177.5 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -131.82 114.55 14.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 3.3 mt -96.99 113.75 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.103 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -103.17 145.34 30.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 41.5 t -119.0 153.44 34.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 11.6 p -126.51 35.8 4.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.61 147.02 24.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -60.28 115.71 3.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.57 132.89 43.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -149.2 37.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 36.6 p . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.943 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 N-CA-C 112.589 -0.204 . . . . 0.0 112.589 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -168.17 123.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t 60.48 166.32 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.47 -45.52 1.63 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -159.44 -48.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.901 0.381 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -114.87 -176.06 2.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.38 100.83 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.525 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.8 tp -87.29 86.02 7.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.36 121.37 17.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.0 tt -133.4 125.72 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.56 95.38 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.129 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.45 -69.85 0.52 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.531 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.411 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.8 pt -149.45 30.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.373 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.414 ' CE3' ' HB3' ' A' ' 150' ' ' CYS . 84.8 m95 -135.65 103.29 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 57.2 p-90 -100.4 129.85 46.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.5 m -68.64 133.08 47.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.969 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 m -72.4 152.35 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -111.2 -32.88 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -122.46 -178.4 3.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.421 ' CZ ' HG21 ' A' ' 74' ' ' ILE . 28.7 t80 -80.54 -33.85 35.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.88 -28.07 72.17 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.539 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.47 -34.12 69.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.1 mt -71.07 106.41 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -168.44 130.6 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.45 -156.4 28.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.3 m -60.16 132.83 55.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 pt -144.73 174.51 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.41 111.32 6.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mt -88.63 158.39 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.037 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -143.18 103.38 4.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 15.7 mtt -69.21 -75.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.52 179.97 6.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -77.82 80.36 4.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.44 -28.17 7.64 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.8 145.38 36.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.785 0.326 . . . . 0.0 111.172 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -123.12 167.3 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.5 mt -84.29 112.12 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -93.63 150.72 20.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -107.59 146.4 31.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.9 mt -114.33 151.26 33.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -74.08 -34.44 64.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -59.65 -30.33 68.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.48 37.77 0.71 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.528 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mt -140.82 179.99 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.416 ' CZ ' HD23 ' A' ' 84' ' ' LEU . 42.6 m-85 -140.55 137.9 34.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.9 t -135.75 161.15 36.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.4 tp -68.56 124.91 24.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.56 155.36 39.42 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.01 114.07 16.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.547 0.213 . . . . 0.0 111.076 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_exo -51.37 177.04 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.438 2.092 . . . . 0.0 112.42 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -110.42 144.61 38.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -71.83 -54.32 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.49 147.37 49.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.67 -34.99 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -108.29 92.38 4.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.58 131.35 21.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.26 147.61 25.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.426 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.49 157.6 58.49 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.542 2.161 . . . . 0.0 112.398 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.0 m -80.3 162.95 59.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.681 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.491 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 41.8 Cg_exo -55.27 -45.89 36.85 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.495 2.13 . . . . 0.0 112.639 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 60' ' ' PRO . 50.7 Cg_exo -52.22 -27.53 30.53 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.537 2.158 . . . . 0.0 112.331 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.422 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 8.3 mt-10 -91.03 -23.78 20.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -64.27 116.0 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 111.015 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.422 ' CD2' ' O ' ' A' ' 62' ' ' GLU . 95.4 m-85 -104.44 -179.98 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.89 120.71 16.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.77 153.02 18.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.9 130.13 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -70.72 146.96 49.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.5 mt -134.56 -72.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.7 p 179.93 153.63 0.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.06 37.37 26.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.986 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m 61.21 31.11 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mmm-85 -106.99 112.82 25.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.421 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 4.4 pt -102.48 158.15 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.19 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.68 122.78 47.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.406 HD11 ' CD1' ' A' ' 105' ' ' TRP . 15.8 mt -88.22 154.34 20.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.0 129.26 23.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.407 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . 99.1 p -65.15 150.44 48.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.31 -26.65 56.77 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.608 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -68.96 -38.18 79.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 140.31 -15.97 2.96 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.708 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -81.24 173.5 12.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.806 0.336 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -109.81 143.02 40.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.416 HD23 ' CZ ' ' A' ' 45' ' ' PHE . 35.2 mt -76.69 115.32 16.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.831 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.73 121.66 2.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.551 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 pp -70.28 121.54 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.34 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.64 174.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.8 -39.85 63.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.5 -29.49 67.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 115.8 30.81 2.07 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.55 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.4 tp -116.77 129.65 56.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.33 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.2 t -75.73 115.86 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.3 m -135.6 -179.93 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.52 99.01 0.18 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.559 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -149.7 49.12 0.94 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 m -145.44 143.78 30.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.976 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.59 31.4 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -144.47 161.4 39.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.8 mt -94.99 96.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -93.63 163.45 26.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.449 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.5 -41.12 69.85 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.59 2.193 . . . . 0.0 112.26 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.0 mtt-85 -67.45 -29.69 69.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.001 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.47 -27.75 64.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -58.67 135.64 57.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.406 ' CD1' HD11 ' A' ' 76' ' ' LEU . 86.0 m95 -120.77 136.92 54.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -110.19 93.22 14.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.043 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.0 165.09 32.42 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.446 2.097 . . . . 0.0 112.201 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -150.1 151.72 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.226 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -129.96 119.17 22.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -138.22 115.82 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 59.33 29.81 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.08 -35.73 4.21 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.547 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -69.51 -179.99 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.745 0.307 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.2 ptp -163.79 156.79 18.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.417 ' HB3' ' CE1' ' A' ' 123' ' ' PHE . . . -151.43 120.5 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.066 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.85 122.8 19.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.9 tp -105.9 123.24 47.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.47 165.24 6.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.039 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.6 t -69.68 -13.05 62.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.371 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 40.7 p30 -96.25 26.43 4.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.758 0.313 . . . . 0.0 111.186 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.5 m 55.97 47.2 20.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.03 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 74.7 m -147.63 123.44 10.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.417 ' CE1' ' HB3' ' A' ' 115' ' ' ALA . 53.2 m-85 -66.17 152.63 44.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 39.6 pt -80.17 158.42 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -173.64 143.57 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 30.4 p -103.66 153.1 21.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -95.6 161.99 13.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -31.28 66.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.931 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.51 -49.97 13.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 144.08 62.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -154.63 107.16 2.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.6 mt -87.12 113.38 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.2 167.39 16.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.98 101.44 6.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.05 173.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.97 168.79 1.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -61.76 -31.31 71.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 20.5 p -67.63 115.97 7.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -95.87 108.94 21.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.57 176.99 44.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -60.41 -50.34 73.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -67.45 -29.28 68.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.041 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -30.22 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.9 mmt -59.99 116.14 3.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 45.5 pt -98.93 172.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.186 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -129.88 108.39 10.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 25.3 mt -84.61 121.74 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 10.4 mtt-85 -102.04 175.52 5.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 44.7 t -152.61 150.29 29.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . 0.414 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 28.5 p -126.32 34.95 4.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -74.92 -174.84 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -100.67 110.28 22.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 21.0 mtm105 -85.56 140.2 30.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -139.33 77.32 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.933 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.66 -71.97 0.12 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.815 0.341 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 60.45 80.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.98 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.38 -134.3 36.1 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.556 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 p -126.72 148.01 49.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -130.82 143.2 50.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.46 102.71 1.85 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.472 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.67 144.27 31.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -129.7 93.48 3.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.1 tt -99.91 128.4 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -121.93 97.97 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.53 -90.18 0.94 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.388 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.428 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.2 pt -132.51 31.19 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 111.066 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.428 ' CD1' HG13 ' A' ' 13' ' ' ILE . 64.9 m95 -138.56 121.3 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 48.7 p-90 -117.66 139.06 51.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.67 128.02 34.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 m -65.39 164.16 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.4 t -104.23 -38.59 6.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -149.56 179.28 8.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.417 ' CZ ' ' HA ' ' A' ' 72' ' ' SER . 81.0 t80 -58.16 -43.2 87.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.051 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.54 -24.52 39.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.632 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -81.43 -29.87 33.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.4 mt -68.92 102.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 m -160.84 116.75 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.66 -155.36 17.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 m -69.14 125.55 27.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.344 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.3 pt -140.76 159.15 24.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.0 151.18 49.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.6 mt -112.71 141.96 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -133.35 105.0 6.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.9 mtp -75.58 -60.73 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.95 163.4 14.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -73.61 82.44 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.5 -29.6 5.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.5 153.96 20.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -136.66 160.48 38.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.9 mt -73.53 107.78 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -87.46 154.79 20.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -110.38 155.57 21.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.9 mt -130.6 131.81 45.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -60.03 -30.25 69.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -57.87 -28.36 64.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.38 32.94 1.4 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 mt -141.69 166.79 23.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.419 ' CE2' ' CD2' ' A' ' 84' ' ' LEU . 14.7 m-85 -129.54 123.04 30.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.9 t -116.22 171.7 7.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.0 tp -89.22 111.25 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.82 137.63 39.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.5 150.56 73.58 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.707 0.289 . . . . 0.0 111.087 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.06 137.25 40.37 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.613 2.209 . . . . 0.0 112.311 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -60.4 163.77 4.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -78.57 -34.44 46.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -91.28 161.8 14.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.78 -65.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -79.8 88.81 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.34 161.13 38.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -108.01 168.51 13.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.91 170.5 15.41 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.583 2.189 . . . . 0.0 112.359 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.38 168.32 11.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.518 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 50.9 Cg_exo -52.32 -48.64 20.76 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.602 2.202 . . . . 0.0 112.693 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 57.0 Cg_endo -70.88 -19.6 30.57 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.25 1.966 . . . . 0.0 112.435 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -86.1 -29.56 23.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.006 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -58.76 145.68 39.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.414 ' CE1' HD12 ' A' ' 84' ' ' LEU . 56.4 m-85 -133.18 159.91 38.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.1 m -120.98 130.49 53.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.43 142.69 27.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -137.83 114.02 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.19 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -67.26 135.04 52.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.8 mt -122.9 -72.21 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.81 154.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 t0 55.58 42.57 29.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.417 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 0.7 OUTLIER 59.98 29.88 19.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -105.18 120.9 42.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.9 pt -120.12 143.16 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -108.1 120.98 43.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.6 mt -75.03 173.09 11.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -154.57 117.52 4.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.9 p -62.97 146.59 52.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.34 -28.09 61.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.572 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -63.99 -39.03 93.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.325 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.47 43.26 0.25 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.521 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -139.75 176.51 8.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -111.02 131.93 54.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.419 ' CD2' ' CE2' ' A' ' 45' ' ' PHE . 82.3 mt -75.72 111.72 11.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.49 127.0 3.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 pp -63.65 162.46 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -101.31 172.42 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.1 p -62.52 -33.35 74.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.43 -45.54 53.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 128.57 42.34 0.25 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.551 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.8 tp -122.13 121.47 36.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.93 101.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.6 m -116.16 176.19 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.402 ' HA3' ' CE1' ' A' ' 45' ' ' PHE . . . -147.68 97.32 0.18 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.541 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.73 86.02 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -177.03 111.5 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -62.89 -31.64 72.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.83 176.14 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.9 mt -107.37 86.81 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -77.6 166.84 53.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.68 -42.4 62.8 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.551 2.167 . . . . 0.0 112.342 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -64.39 -31.25 72.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 26.7 mp0 -70.11 -28.66 65.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -62.88 146.31 53.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.005 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 83.0 m95 -130.14 -179.92 5.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -155.45 90.65 2.88 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.34 155.55 9.37 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.568 2.179 . . . . 0.0 112.206 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.15 157.03 22.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -143.91 116.79 8.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -129.14 105.39 8.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 59.69 39.66 20.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.27 -40.91 2.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.435 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -61.59 -180.0 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.742 0.306 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 2.9 ptp -158.89 141.97 14.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.414 ' HB3' ' CE1' ' A' ' 123' ' ' PHE . . . -140.45 121.51 14.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.068 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.48 119.01 19.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.7 tp -100.93 131.26 46.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.22 168.01 20.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.6 t -64.38 -15.38 60.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.189 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 41.7 p30 -95.24 23.88 5.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.207 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.9 43.36 30.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.174 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.6 m -145.11 121.92 11.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.414 ' CE1' ' HB3' ' A' ' 115' ' ' ALA . 65.7 m-85 -59.48 173.05 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 24.3 pt -107.9 145.27 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.227 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 34.7 ttt-85 -160.41 131.46 5.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 22.3 p -87.2 161.49 18.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -109.37 152.58 25.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.69 -29.97 67.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.5 -36.75 76.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 138.06 -21.44 3.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.594 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.47 149.78 45.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 0.0 110.941 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 30.9 mt -128.67 108.47 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.39 171.16 8.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -88.2 131.73 34.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.47 170.65 15.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.95 -179.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -60.29 -31.43 70.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.1 p -69.5 130.51 42.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.414 ' HB3' ' CE2' ' A' ' 123' ' ' PHE . . . -108.54 107.19 17.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.64 174.74 47.86 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.69 -32.66 74.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.69 -30.88 20.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.978 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -26.75 64.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.3 mmt -57.1 163.05 2.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.899 0.38 . . . . 0.0 110.966 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 2.4 pt -133.38 179.52 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -136.89 100.72 4.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 21.4 mt -84.17 113.56 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -107.35 142.98 36.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.7 t -117.66 146.36 43.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . 0.411 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 29.1 p -107.97 33.33 4.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -73.72 141.64 46.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.72 111.27 3.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -69.65 -178.2 1.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -139.41 79.26 1.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.956 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.146 0 N-CA-C 112.551 -0.22 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.71 131.43 36.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.353 . . . . 0.0 110.832 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.3 p -121.8 148.04 45.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.86 71.3 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -109.21 -30.86 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t 61.33 161.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.13 58.89 0.21 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.44 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.0 tp -145.14 122.02 11.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.339 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -101.17 126.35 47.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 tt -128.47 124.01 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.6 t -122.34 104.73 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.046 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.27 -77.6 0.12 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 pt -145.85 30.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -132.42 123.17 26.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -124.18 140.79 52.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 m -74.38 141.9 45.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -82.17 173.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.84 -44.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -128.18 166.99 17.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 72' ' ' SER . 78.9 t80 -61.58 -35.56 78.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.75 -26.06 53.01 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -89.1 -28.4 20.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.731 0.301 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 54.0 mt -65.42 106.68 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.0 t -172.48 144.67 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.7 -148.41 19.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -86.33 114.43 23.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.4 pt -129.01 139.53 51.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.32 154.62 18.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.3 mp -128.34 130.45 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 16.3 tt0 -115.96 115.93 27.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 19.1 mtt -84.59 -60.86 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.02 175.91 7.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.04 80.98 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.82 -32.22 6.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.543 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.4 134.25 34.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.848 0.356 . . . . 0.0 111.074 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 50.3 m-85 -111.6 177.02 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.6 mt -79.96 121.38 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -105.67 133.54 50.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.409 ' HA ' ' CD2' ' A' ' 45' ' ' PHE . . . -85.14 135.37 34.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.9 mt -100.18 179.28 4.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -105.54 -10.18 17.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.41 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -97.0 30.03 2.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.758 0.313 . . . . 0.0 111.039 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.7 34.07 87.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.568 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.6 mt -134.3 179.8 6.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.728 0.299 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.409 ' CD2' ' HA ' ' A' ' 39' ' ' ALA . 31.0 m-85 -147.04 111.0 5.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t -104.16 174.23 5.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.7 tp -80.46 111.53 16.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.7 150.91 41.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.442 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.92 137.62 90.62 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.634 0.254 . . . . 0.0 111.026 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.83 128.37 14.96 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.506 2.137 . . . . 0.0 112.249 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -60.46 169.97 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 ptt85 -103.0 -41.19 6.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -79.72 130.84 35.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.96 -41.66 86.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.74 73.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.958 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.37 156.01 42.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -96.88 157.43 21.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.89 152.38 73.64 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.617 2.211 . . . . 0.0 112.302 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -68.06 168.81 11.74 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.485 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 48.8 Cg_exo -54.92 -47.84 24.44 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.612 2.208 . . . . 0.0 112.622 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 73.7 Cg_endo -75.87 -26.86 9.16 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.195 1.93 . . . . 0.0 112.337 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -69.1 -31.6 70.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -72.47 123.52 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -112.31 149.0 33.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.36 120.23 41.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.06 145.57 25.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.036 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.03 107.82 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.407 ' HE3' ' CE2' ' A' ' 20' ' ' PHE . 25.1 mtpt -59.87 146.3 42.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.1 mt -129.73 -68.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.3 m -178.89 154.94 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 t0 59.81 37.08 22.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 10.9 m 60.3 51.88 5.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.4 mmm-85 -128.61 137.01 51.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.1 pt -123.25 151.45 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.32 103.71 12.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.12 152.39 44.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -138.41 120.25 15.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.3 p -61.16 152.31 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.39 -28.89 67.94 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.401 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 10.7 m-85 -63.02 -31.26 72.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.87 36.51 0.96 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.584 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -131.61 161.75 31.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -95.38 124.9 39.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.4 mt -59.58 114.97 2.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -124.61 157.05 18.84 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 21.4 pt -109.92 136.55 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 111.159 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -74.46 164.4 26.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -69.11 -31.23 69.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.76 -31.47 68.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 118.28 38.62 0.79 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.541 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.8 tp -128.49 120.2 26.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.0 t -62.98 117.24 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.054 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.8 m -142.6 131.59 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -101.91 104.96 2.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.527 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -172.64 63.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.942 0.401 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.5 t -123.27 -39.54 2.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.042 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 66.35 31.62 8.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.72 142.51 0.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.4 mt -68.0 96.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.077 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -103.85 169.96 18.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.07 -51.78 9.43 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.574 2.182 . . . . 0.0 112.323 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.0 mtt85 -61.39 -33.72 74.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -62.6 -27.84 69.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -60.96 143.47 55.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -125.92 159.36 32.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.77 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -135.87 97.47 12.47 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.019 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.86 143.88 51.71 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.473 2.115 . . . . 0.0 112.215 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.5 148.59 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.202 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.409 ' CE2' ' HB3' ' A' ' 114' ' ' MET . 36.4 m-85 -125.02 128.96 49.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.79 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.95 122.89 15.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 59.41 30.63 20.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.83 -36.86 3.63 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -61.37 -179.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.409 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 10.1 ptp -151.04 145.74 25.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.49 157.88 43.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.6 tp -111.08 100.47 9.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.981 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.8 tp -79.13 131.38 36.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.01 169.72 17.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.5 t -71.7 -9.48 58.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -95.75 24.75 5.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.645 0.259 . . . . 0.0 111.198 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.7 p 54.36 32.53 16.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.812 0.339 . . . . 0.0 111.112 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 95.3 m -133.66 139.66 46.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.407 ' CE2' ' HB1' ' A' ' 139' ' ' ALA . 23.2 m-85 -77.49 151.05 34.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.2 pt -89.18 158.25 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -177.17 158.86 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 14.8 p -102.94 179.05 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -130.22 152.19 49.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.31 -31.62 70.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.815 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.85 -31.24 66.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.073 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 117.28 50.19 0.39 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -145.37 137.44 25.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 31.8 mt -108.74 122.16 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -142.32 170.92 14.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -74.41 176.92 6.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.8 167.84 27.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -57.09 165.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -58.96 -30.58 68.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.2 p -62.75 101.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.407 ' HB1' ' CE2' ' A' ' 123' ' ' PHE . . . -86.45 118.49 25.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -88.18 179.67 46.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.554 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -68.26 -31.15 70.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.784 0.326 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -80.43 -36.07 34.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -30.43 69.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 23.8 mmt -59.07 134.43 56.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 3.9 pt -109.28 178.0 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -129.31 98.41 4.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 22.8 mt -80.52 105.37 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -98.08 138.84 34.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.7 t -112.45 149.42 32.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 26.4 p -131.1 35.99 3.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -75.03 170.41 16.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.11 103.83 7.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.08 167.03 15.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -102.77 123.8 47.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.86 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -106.47 136.26 46.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.55 109.51 3.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.69 -84.77 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -63.38 -67.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.835 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.74 31.31 20.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.35 -153.67 18.96 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.457 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 tp -150.21 112.14 4.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.19 84.05 7.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.7 tt -79.3 118.79 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.057 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.3 106.76 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.89 -83.59 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.411 HG13 ' CD1' ' A' ' 14' ' ' TRP . 0.9 OUTLIER -141.09 31.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 111.053 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.411 ' CD1' HG13 ' A' ' 13' ' ' ILE . 49.0 m95 -136.9 117.38 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.2 p-90 -103.2 128.65 50.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.5 m -60.25 137.07 58.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 m -76.57 167.94 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.229 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.2 m -119.02 -41.03 2.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.952 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -134.49 175.01 9.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.426 ' CZ ' HG21 ' A' ' 74' ' ' ILE . 60.3 t80 -58.97 -44.53 91.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.04 -26.79 49.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.681 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -70.37 -38.83 74.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.401 HD11 HG21 ' A' ' 23' ' ' ILE . 39.9 mt -73.36 116.73 16.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.46 115.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.98 -156.34 19.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 m -60.57 114.47 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.6 pt -127.43 166.34 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.5 137.64 48.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.081 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.2 mt -108.3 143.82 17.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -131.4 115.53 16.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.5 mtt -93.12 -45.5 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -107.13 171.06 7.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -78.74 85.78 4.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.25 -30.68 6.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.529 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.11 145.13 26.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 111.02 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -124.83 169.06 12.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.1 mt -74.77 113.84 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.17 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -102.1 147.49 26.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.419 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -115.92 140.39 49.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.6 mt -98.12 156.15 16.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -65.94 -31.81 72.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -66.87 -31.2 71.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.13 -25.47 4.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.591 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.8 mt -71.4 170.32 13.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.419 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 20.6 m-85 -134.04 146.56 50.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -145.03 152.85 40.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 37.7 tp -64.08 108.84 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.32 174.04 5.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.66 150.38 40.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.734 0.302 . . . . 0.0 111.08 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.9 158.05 58.08 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.471 2.114 . . . . 0.0 112.298 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -90.07 160.06 16.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -62.64 1.5 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -68.48 161.46 27.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.4 p -86.27 -31.7 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -109.77 86.58 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -148.11 139.08 23.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.87 160.29 51.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.422 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.84 177.68 5.39 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.514 2.142 . . . . 0.0 112.298 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.18 171.15 6.88 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.539 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 64.3 Cg_exo -50.21 -50.3 13.85 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.567 2.178 . . . . 0.0 112.77 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 37.5 Cg_endo -65.93 -24.88 52.82 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.124 1.883 . . . . 0.0 112.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.405 ' O ' ' CE1' ' A' ' 64' ' ' PHE . 3.8 mt-10 -81.21 -30.91 34.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -76.17 122.94 25.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.423 ' CD2' HD11 ' A' ' 84' ' ' LEU . 82.6 m-85 -109.85 161.93 14.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.1 m -111.26 118.4 35.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.68 135.86 33.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.2 t -128.16 123.16 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.18 144.19 50.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.4 mt -132.76 -73.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.99 157.46 0.69 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.787 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 59.09 31.56 21.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.2 33.59 16.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.5 103.18 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.426 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 19.4 pt -95.61 153.94 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -108.51 126.89 53.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.016 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.9 mt -89.52 164.79 14.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.3 tttm -157.26 124.83 5.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.422 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -67.71 147.5 52.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.76 -28.31 65.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -60.43 -38.01 82.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.339 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.61 46.48 0.21 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -149.12 149.54 31.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -88.75 139.12 30.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.423 HD11 ' CD2' ' A' ' 64' ' ' PHE . 55.7 mt -78.01 111.9 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -134.05 127.17 4.47 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.7 pp -69.8 151.27 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 111.109 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -87.11 166.58 14.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 63.7 p -61.42 -32.34 72.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.3 -30.99 65.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 117.92 35.06 1.08 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 tp -114.4 142.76 45.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.9 121.16 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.4 m -139.35 179.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.143 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -155.06 85.67 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.56 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -156.26 31.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.839 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.7 -38.83 6.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.75 31.71 20.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.63 143.16 29.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 26.1 mt -83.91 77.46 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -99.57 173.64 26.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.538 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.03 -36.7 66.19 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.639 2.226 . . . . 0.0 112.285 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -71.63 -36.02 70.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.408 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 9.6 mp0 -70.82 -24.15 62.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.212 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -57.35 150.2 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 0.0 111.097 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.408 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 98.5 m95 -138.53 135.27 34.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.79 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -124.65 95.34 42.91 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.969 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.29 144.95 58.29 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.478 2.118 . . . . 0.0 112.304 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.74 131.64 64.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.232 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -110.61 120.91 43.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -150.02 134.26 17.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 59.25 47.59 11.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 57.61 25.74 55.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.607 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -127.07 177.01 6.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.351 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -152.92 129.02 10.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.68 124.24 22.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.066 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.8 tp -68.01 131.16 44.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.5 tp -102.85 128.13 49.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.975 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -78.34 163.42 25.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.7 t -58.23 -20.9 45.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 34.4 p-10 -96.36 24.2 6.01 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.37 41.48 31.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.871 0.367 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 14.4 m -132.04 117.64 18.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.404 ' CD2' ' HB1' ' A' ' 139' ' ' ALA . 62.8 m-85 -60.23 139.79 57.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 23.6 pt -71.66 159.59 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.0 ttt-85 -172.34 155.99 3.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 8.2 p -108.41 128.44 54.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -73.83 173.55 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -84.89 -31.68 23.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.21 -43.92 60.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 136.59 46.11 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -136.92 99.57 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 28.8 mt -73.51 99.29 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -121.09 172.34 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -91.99 114.12 26.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.052 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.56 171.51 7.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -60.28 179.44 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -60.54 -30.61 69.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.99 116.72 6.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.404 ' HB1' ' CD2' ' A' ' 123' ' ' PHE . . . -100.65 103.64 14.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.08 179.97 37.98 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.63 -32.42 73.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -86.28 -29.05 23.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -30.27 65.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 24.4 mmt -59.46 154.32 17.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 18.4 pt -130.0 157.61 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -112.34 87.16 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 4.8 mt -75.18 130.35 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 33.9 mtt-85 -124.76 175.47 7.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.3 t -144.98 156.74 44.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 9.8 p -120.9 31.57 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -83.82 -179.75 7.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.5 133.66 54.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 27.3 mtm180 -87.53 137.35 32.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -109.78 116.68 32.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.899 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 p -115.79 118.95 34.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -129.41 -56.43 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.38 54.34 1.36 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.67 165.43 21.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.891 0.377 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -101.35 -64.78 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.63 60.43 0.47 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.456 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 tt -74.51 129.44 37.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.15 111.13 16.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -102.0 113.07 37.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -115.58 94.12 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.78 -76.08 0.22 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.418 HG13 ' CD1' ' A' ' 14' ' ' TRP . 4.0 pt -140.54 31.25 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.418 ' CD1' HG13 ' A' ' 13' ' ' ILE . 80.2 m95 -136.01 114.51 11.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 53.3 p-90 -114.26 133.87 55.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.9 m -65.98 144.35 56.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.0 m -90.52 158.17 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -113.71 -36.74 4.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -131.67 173.96 10.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.964 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CE1' HG21 ' A' ' 74' ' ' ILE . 69.2 t80 -59.57 -45.2 92.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.024 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.64 -26.32 45.76 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.691 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -73.33 -31.51 64.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.784 0.326 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.7 mt -75.37 122.34 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.144 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.2 t -177.01 153.22 0.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.33 -164.28 41.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.475 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.95 122.99 15.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.5 pp -135.76 155.62 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.17 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.41 135.88 54.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.5 mt -105.62 140.47 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -125.2 111.79 15.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 32.3 mtt -89.96 -39.73 12.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -106.29 169.22 8.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -77.72 84.67 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.16 -37.73 3.31 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.45 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.97 163.84 23.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.909 0.385 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -139.47 168.49 19.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.7 mt -72.99 105.84 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -92.24 112.41 24.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.23 175.89 6.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 mt -140.72 154.84 46.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.958 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -73.57 -36.59 65.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.958 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -58.46 -27.05 64.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.27 24.66 4.07 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.2 mt -121.43 -179.96 4.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.792 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.418 ' CE2' HD22 ' A' ' 84' ' ' LEU . 33.9 m-85 -141.71 126.87 18.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.052 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 t -124.67 159.11 31.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.79 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.4 tp -78.55 104.49 9.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.16 174.12 7.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.405 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.72 148.85 49.79 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.698 0.285 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.66 165.32 32.38 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.557 2.171 . . . . 0.0 112.348 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -94.21 160.67 14.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.38 -41.85 10.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.53 151.13 27.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.35 -64.21 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.38 79.59 6.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -133.59 158.32 43.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -102.51 151.52 18.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.432 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.65 158.31 53.79 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.526 2.151 . . . . 0.0 112.389 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.403 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . 51.1 m -80.02 164.04 54.76 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.761 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.498 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 50.5 Cg_exo -54.02 -45.08 43.69 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.505 2.136 . . . . 0.0 112.794 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 60' ' ' PRO . 38.3 Cg_exo -59.73 -34.92 95.92 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.527 2.152 . . . . 0.0 112.022 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 34.0 mt-10 -82.92 -30.51 28.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -69.98 117.66 11.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.405 ' CE2' HD13 ' A' ' 84' ' ' LEU . 85.3 m-85 -101.84 174.05 6.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.47 118.37 24.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.38 158.97 21.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -152.34 108.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.01 110.68 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.1 mt -92.28 -79.41 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 m 179.93 155.42 0.59 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t0 59.02 42.11 19.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.73 40.25 13.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -122.12 129.62 52.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.419 HG21 ' CE1' ' A' ' 20' ' ' PHE . 15.1 pt -120.41 145.07 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.71 124.57 48.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.6 mt -89.21 152.28 21.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -144.76 119.19 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 p -60.23 159.9 9.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.1 -32.44 84.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.557 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -61.31 -39.12 89.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 125.11 41.26 0.37 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -136.87 136.6 38.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -76.25 135.2 39.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.418 HD22 ' CE2' ' A' ' 45' ' ' PHE . 20.7 mt -68.54 116.12 8.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -130.83 119.17 2.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.7 pt -74.17 149.79 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 111.072 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -91.97 168.2 11.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.1 p -73.28 -32.24 64.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.13 -40.89 91.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 127.39 63.34 0.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.2 tp -152.92 150.0 28.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.9 t -98.13 104.11 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.048 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.23 157.21 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -120.75 104.22 0.96 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.54 91.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.785 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.7 t -169.74 -42.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.24 33.6 14.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.72 143.77 17.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.083 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.9 mt -77.2 80.21 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -90.2 177.16 42.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.84 -61.17 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.533 2.155 . . . . 0.0 112.412 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -57.76 -31.02 66.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.407 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 1.9 mp0 -64.06 -28.3 69.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -58.64 152.77 17.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.052 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.407 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 98.8 m95 -137.02 145.62 44.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -132.09 90.03 36.22 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.1 154.4 70.43 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.521 2.147 . . . . 0.0 112.266 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.3 t -140.24 158.77 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.181 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.418 ' CD2' ' HB3' ' A' ' 114' ' ' MET . 18.5 m-85 -130.9 129.0 41.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -142.68 128.99 19.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 59.03 26.83 15.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.78 -31.29 7.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.582 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -70.8 178.05 3.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.33 . . . . 0.0 110.954 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.418 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 4.0 ptp -147.41 142.55 27.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.409 ' HB1' ' CE1' ' A' ' 123' ' ' PHE . . . -137.26 143.58 42.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 45.1 tp -96.34 90.33 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.7 tp -71.27 131.23 43.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.45 169.43 18.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.8 t -65.67 -14.17 60.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 47.9 p30 -93.69 20.81 7.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.301 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.88 53.51 8.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.876 0.369 . . . . 0.0 111.04 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.3 m -156.69 136.47 12.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.409 ' CE1' ' HB1' ' A' ' 115' ' ' ALA . 49.5 m-85 -67.15 168.19 10.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 21.1 pt -93.19 159.79 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.24 161.35 19.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 25.0 p -111.96 173.24 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.977 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -127.77 160.77 30.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.48 -37.79 83.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.29 -34.92 73.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.12 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 121.5 38.79 0.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -123.53 101.71 7.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.9 mm -70.02 110.83 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.82 179.65 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -106.26 122.8 46.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.8 169.66 17.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.817 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.33 177.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -62.81 -31.6 72.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.2 p -58.69 132.33 53.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.407 ' HB1' ' CE2' ' A' ' 123' ' ' PHE . . . -112.96 155.31 25.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.047 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -143.97 173.47 24.75 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.23 -31.67 69.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.367 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -85.88 -31.17 22.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -30.64 69.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 23.3 mmt -59.16 139.77 56.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 3.3 pt -118.15 176.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -129.69 100.1 5.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 2.4 mp -81.46 104.61 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.84 149.68 24.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 38.3 t -135.82 133.04 37.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 30.2 p -107.12 31.85 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -82.67 165.68 19.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.44 114.04 4.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -67.86 -178.77 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.17 80.66 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.898 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.7 t 60.61 162.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -97.12 150.42 20.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.39 66.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.54 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -102.12 -31.83 10.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -84.43 -177.15 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.32 97.13 0.67 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.425 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.8 tp -137.63 155.12 49.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.62 108.45 20.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.6 tt -119.31 113.34 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.59 89.85 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.46 -78.33 0.34 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.426 HG13 ' CD1' ' A' ' 14' ' ' TRP . 0.9 OUTLIER -139.35 32.62 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.845 0.355 . . . . 0.0 111.083 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.426 ' CD1' HG13 ' A' ' 13' ' ' ILE . 52.9 m95 -141.76 118.62 11.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 50.8 p-90 -114.83 134.17 55.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.2 m -67.51 125.21 25.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.7 m -70.83 173.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.167 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.33 -48.93 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -112.09 178.1 4.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 72' ' ' SER . 69.8 t80 -74.37 -34.24 63.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.994 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.33 -27.6 60.76 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.565 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.79 -29.76 62.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.979 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.1 mt -68.54 105.47 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.04 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.25 104.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.819 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.48 -158.67 14.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.439 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.5 m -67.04 132.09 47.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.3 pt -139.2 173.3 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.47 126.16 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.9 mt -105.46 123.41 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.1 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -107.27 111.64 24.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.988 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.2 mtt -86.07 -48.32 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -102.39 161.8 13.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -71.16 79.99 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.26 -31.21 5.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.53 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.11 163.42 17.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.766 0.317 . . . . 0.0 111.085 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -136.9 151.98 49.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mt -66.31 116.43 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -100.04 162.74 12.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.449 ' CB ' ' CE2' ' A' ' 45' ' ' PHE . . . -126.87 141.1 51.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.9 mt -97.42 154.29 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -65.8 -31.51 72.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -67.97 -35.52 78.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.17 -26.59 2.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.542 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 mt -67.18 173.17 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.449 ' CE2' ' CB ' ' A' ' 39' ' ' ALA . 21.2 m-85 -138.64 134.08 33.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.7 t -126.17 179.89 5.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.3 tp -94.21 108.58 20.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.67 163.98 12.98 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.554 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.03 148.68 84.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.681 0.277 . . . . 0.0 111.118 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.74 146.49 54.29 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.624 2.216 . . . . 0.0 112.315 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -75.18 142.11 43.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 -70.03 -37.19 75.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.92 146.83 27.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.01 -49.94 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -110.06 79.09 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -125.74 132.63 52.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.85 150.29 51.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.05 162.09 43.14 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.609 2.206 . . . . 0.0 112.282 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.8 m -75.6 162.05 73.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.803 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.539 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 54.4 Cg_exo -51.29 -48.17 22.45 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.504 2.136 . . . . 0.0 112.618 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 56.3 Cg_endo -70.55 -25.28 25.12 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.136 1.891 . . . . 0.0 112.285 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -78.61 -31.35 47.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.82 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -67.58 134.78 51.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.416 ' CD1' HD12 ' A' ' 84' ' ' LEU . 97.6 m-85 -114.61 158.03 22.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.85 134.92 52.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.15 133.7 49.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.068 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.04 132.12 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -76.16 144.88 40.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.5 mt -133.34 -72.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.0 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.3 p 179.82 157.21 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 54.82 36.33 26.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 1.0 OUTLIER 61.23 29.66 18.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -105.91 104.18 13.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.731 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.4 pt -95.2 140.28 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.282 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.94 134.48 36.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.053 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 26.4 mt -96.41 146.26 24.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -132.07 125.32 31.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.797 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.2 p -63.91 158.07 23.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.47 -27.13 57.96 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -72.6 -31.82 65.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.24 -18.62 5.24 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.623 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -70.98 169.62 14.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.83 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -107.07 133.69 51.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.44 ' CD2' ' CZ ' ' A' ' 45' ' ' PHE . 80.7 mt -69.49 130.91 43.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.89 128.23 2.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.5 pt -67.21 166.12 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.903 0.382 . . . . 0.0 111.106 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -111.88 176.51 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.5 p -65.01 -31.34 72.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.69 -34.04 66.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 128.8 -24.4 4.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.592 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tp -56.93 155.88 7.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 111.048 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.72 95.87 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 24.2 m -104.74 168.71 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -136.98 95.92 0.24 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -167.46 107.76 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.75 -39.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.978 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.06 30.57 13.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.811 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.06 -168.8 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.3 mt -122.87 89.82 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.73 -160.04 27.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.54 -45.74 1.09 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.584 2.189 . . . . 0.0 112.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -33.11 75.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.406 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 0.7 OUTLIER -66.03 -19.63 65.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.211 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -71.49 125.52 27.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.848 0.356 . . . . 0.0 111.006 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.411 ' CZ3' ' HA ' ' A' ' 118' ' ' ALA . 93.1 m95 -124.4 141.36 52.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.789 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -119.9 97.82 49.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.952 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.23 153.85 70.74 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.397 2.065 . . . . 0.0 112.242 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 t -140.83 159.41 23.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.293 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -133.48 141.34 47.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.77 101.76 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 57.23 47.62 16.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.0 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.91 -45.21 2.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.4 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -60.5 179.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.8 ptp -161.11 153.23 19.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -144.41 163.46 33.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.1 tp -115.91 123.53 48.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.7 tp -105.85 123.26 47.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.808 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.411 ' HA ' ' CZ3' ' A' ' 105' ' ' TRP . . . -65.34 165.37 11.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.26 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.51 -16.04 61.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.236 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 40.9 p30 -94.02 21.33 6.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.271 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.75 52.55 10.69 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.834 0.35 . . . . 0.0 111.083 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.3 m -147.85 125.52 11.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -63.85 129.45 40.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 37.7 pt -68.17 160.91 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.253 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.81 173.38 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 25.9 p -122.74 157.0 33.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -101.05 173.37 6.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -71.15 -47.85 55.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.85 -31.21 69.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 119.08 51.42 0.29 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.451 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.77 127.08 33.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.322 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 28.0 mm -90.09 108.47 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.34 168.28 11.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -91.42 100.16 12.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -61.23 167.0 3.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.62 -180.0 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -70.04 -29.42 66.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 11.6 p -56.96 127.77 33.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.015 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -109.37 97.85 7.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -84.73 179.97 51.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -59.53 -49.62 77.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -66.2 -30.5 70.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.95 -31.03 68.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.7 mmt -60.09 147.88 37.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 10.0 pt -133.53 174.91 12.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -126.36 105.64 8.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 23.2 mt -89.34 119.56 36.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -104.81 161.32 14.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 7.6 t -144.49 143.26 30.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 25.6 p -110.56 32.61 5.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -71.31 144.71 49.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -71.16 105.53 3.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -73.06 -175.34 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.42 30.74 3.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 8.8 p . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.035 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.1 34.77 4.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.973 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -102.8 -58.82 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.11 130.66 1.53 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.534 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.28 -67.87 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 m -75.64 91.36 2.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.55 -41.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.577 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 tt -86.61 115.74 24.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -82.25 122.19 27.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -116.95 136.3 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.046 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.81 102.94 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.38 -87.42 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.445 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.41 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.4 pt -132.01 30.82 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 111.119 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.41 ' CD1' HG13 ' A' ' 13' ' ' ILE . 68.3 m95 -132.29 139.0 48.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -131.73 138.33 48.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.41 127.5 32.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.932 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.3 m -64.62 177.85 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -139.43 -47.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -132.02 176.03 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -61.93 -39.74 93.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.21 -28.61 64.48 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.441 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -81.5 -31.53 32.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.8 mt -82.24 95.98 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -158.92 112.6 2.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.19 -156.57 15.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.24 130.6 47.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.6 pt -146.61 159.45 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.9 137.49 54.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.105 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.416 HD13 ' CD2' ' A' ' 64' ' ' PHE . 4.4 mt -115.17 128.35 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.406 ' OE2' ' CZ ' ' A' ' 36' ' ' TYR . 13.0 tt0 -116.41 104.36 11.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.7 mtt -71.1 -55.71 7.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.83 179.74 5.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 tttp -78.09 80.21 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.28 -27.54 8.45 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.551 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.75 145.09 25.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.853 0.359 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.406 ' CZ ' ' OE2' ' A' ' 30' ' ' GLU . 40.0 m-85 -118.54 174.17 6.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.3 mt -79.07 116.5 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -98.9 149.41 22.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.9 175.09 5.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.09 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.3 mt -145.07 140.43 28.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.62 -30.47 70.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -58.25 -28.53 65.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.39 30.07 2.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.8 mt -135.52 180.0 5.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.745 0.307 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.401 ' CZ ' HD21 ' A' ' 84' ' ' LEU . 13.6 m-85 -137.21 126.18 24.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -126.62 157.85 37.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.1 tp -64.57 120.22 11.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.5 154.95 52.8 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.75 132.47 74.79 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 120.502 0.191 . . . . 0.0 111.065 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.54 173.37 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.446 2.098 . . . . 0.0 112.234 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -103.44 137.04 42.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -31.28 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -103.8 142.17 34.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -69.58 -31.14 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.062 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -104.03 83.44 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -147.79 160.33 42.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -99.7 155.86 19.74 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.454 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.43 145.83 54.36 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.57 2.18 . . . . 0.0 112.357 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.15 163.72 5.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.52 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 58.6 Cg_exo -50.44 -50.8 12.5 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.532 2.155 . . . . 0.0 112.711 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 40.0 Cg_endo -66.94 -25.58 44.71 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.076 1.851 . . . . 0.0 112.242 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 10.2 mt-10 -74.06 -30.02 62.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -68.1 165.4 18.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.416 ' CD2' HD13 ' A' ' 29' ' ' ILE . 79.5 m-85 -150.38 170.49 18.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -133.61 120.73 21.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.16 134.25 35.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.063 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.3 t -127.84 122.24 58.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.33 126.85 30.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.784 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.7 mt -113.65 -75.0 0.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.007 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m -179.99 155.49 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t70 59.33 36.41 23.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m 60.21 57.01 3.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -133.23 125.52 29.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.2 pt -106.33 134.2 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.45 95.18 9.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.3 mt -65.68 152.81 43.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -147.5 122.33 9.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 p -65.21 150.4 48.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.22 -28.23 68.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -59.97 -30.84 69.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.85 37.76 0.75 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.508 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -136.33 165.2 26.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -100.54 122.91 44.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.416 HD12 ' CE1' ' A' ' 64' ' ' PHE . 27.9 mt -63.19 110.53 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.81 128.83 4.23 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.532 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.2 pt -66.29 166.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -98.58 171.01 8.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.6 p -74.29 -31.69 62.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -75.01 -39.91 60.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.13 55.3 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.8 tp -146.0 130.28 17.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.56 120.35 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.0 m -136.65 176.24 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.25 93.5 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.5 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.5 ptt85 -147.93 31.78 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.817 0.341 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.14 130.85 51.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -98.6 31.17 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -137.03 -169.45 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.6 mt -127.34 85.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.2 -170.33 32.1 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.76 -28.74 30.08 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.554 2.169 . . . . 0.0 112.325 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 -79.01 -31.41 44.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -76.1 -16.57 59.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.223 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -74.91 157.1 35.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.847 0.356 . . . . 0.0 111.058 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.412 ' CE3' ' HA ' ' A' ' 118' ' ' ALA . 84.4 m95 -141.58 175.68 9.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.745 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -148.11 100.23 3.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.082 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.23 126.8 13.4 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.524 2.149 . . . . 0.0 112.235 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.62 158.16 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.24 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -137.03 132.67 34.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -140.67 101.15 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 59.28 41.26 20.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.34 -42.43 2.15 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -60.38 175.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 4.7 ptp -156.6 151.98 26.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -151.23 116.57 5.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 15.4 tp -69.55 95.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.5 tp -81.61 123.15 28.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.412 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -59.85 170.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.8 t -73.78 -7.97 54.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.294 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 44.3 p30 -96.33 25.13 5.18 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.705 0.288 . . . . 0.0 111.095 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.1 p 54.9 34.75 22.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.156 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 3.1 m -139.54 122.05 16.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.421 ' CE2' ' HB3' ' A' ' 139' ' ' ALA . 73.8 m-85 -59.86 163.15 4.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 27.2 pt -112.1 159.51 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.36 162.39 6.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.4 p -105.1 152.59 22.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -105.52 173.92 6.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -90.45 -31.3 16.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.17 99.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 134.99 51.79 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.579 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -155.65 148.8 24.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 26.3 mt -126.78 97.12 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -115.64 179.59 3.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -101.82 122.44 43.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.32 175.47 10.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -59.89 177.8 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -59.49 -26.78 65.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.54 117.7 4.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.421 ' HB3' ' CE2' ' A' ' 123' ' ' PHE . . . -94.07 115.15 27.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -100.79 173.0 24.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -63.57 -31.67 72.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.28 -30.83 43.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.78 -30.43 67.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.4 mmt -58.77 145.42 40.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 4.6 pt -130.81 158.54 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.059 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -98.85 86.53 3.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 24.2 mt -76.71 105.77 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.198 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -99.48 179.61 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.2 t -158.12 134.73 9.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . 0.405 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 13.3 p -104.68 31.6 4.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -75.45 167.26 22.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.74 107.91 12.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 3.6 mtp-105 -62.97 175.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -121.88 94.22 4.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -66.24 149.63 50.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.361 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -91.92 -176.57 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.63 -90.28 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.29 49.73 1.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.939 0.4 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -131.1 -177.07 4.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.3 56.86 0.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.551 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 tt -146.0 142.18 28.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.81 114.85 23.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 tt -124.01 116.48 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.3 106.89 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.26 -85.89 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.42 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.4 pt -135.4 30.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.42 ' CD1' HG13 ' A' ' 13' ' ' ILE . 69.5 m95 -134.57 120.41 19.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.5 p-90 -112.61 122.53 47.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.9 m -60.11 138.06 57.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.7 m -76.89 140.57 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.18 -37.6 10.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.793 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -138.06 171.48 14.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 72' ' ' SER . 89.7 t80 -59.34 -44.23 92.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.29 -26.94 45.32 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.478 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -79.93 -29.94 39.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.6 mt -70.72 97.33 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.079 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -152.6 161.02 43.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.95 -149.47 47.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.8 m -70.97 130.91 42.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.0 pt -148.64 147.19 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -106.84 151.42 25.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.2 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.7 mt -125.73 119.31 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.42 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 15.3 tt0 -107.35 127.47 53.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 6.6 mtt -92.01 -55.39 3.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.28 173.26 7.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.0 79.98 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.45 -28.62 3.57 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.546 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.68 152.24 20.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.81 0.338 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.42 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 81.6 m-85 -125.61 167.82 14.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.9 mt -76.09 113.28 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.179 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -95.67 158.53 15.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -117.08 119.09 34.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.087 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 44.4 mt -77.63 169.42 18.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -89.36 -31.8 17.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -65.01 -32.88 74.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.64 41.7 0.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.429 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 mt -140.66 175.77 9.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -136.48 119.48 16.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.5 t -125.39 166.16 17.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.6 tp -56.98 117.36 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.72 155.28 52.83 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.562 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.83 111.48 4.93 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 120.622 0.248 . . . . 0.0 111.024 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.91 145.0 33.93 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.448 2.099 . . . . 0.0 112.361 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -70.02 157.52 37.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -84.57 -33.41 23.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.97 167.42 10.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.99 -64.72 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.58 83.21 6.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -132.74 155.4 48.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -101.22 149.07 18.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.62 157.69 55.27 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.566 2.178 . . . . 0.0 112.413 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.78 162.73 72.77 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.534 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 66.5 Cg_exo -49.96 -50.5 13.13 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.519 2.146 . . . . 0.0 112.693 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 38.1 Cg_endo -66.17 -24.46 51.54 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.149 1.899 . . . . 0.0 112.329 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -76.42 -30.99 57.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -69.98 141.78 52.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -124.57 164.16 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.23 118.49 26.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.68 154.32 27.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.063 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.85 99.04 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -62.75 143.02 57.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.4 mt -133.44 -69.85 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.967 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.97 162.9 1.03 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 58.33 35.48 24.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.992 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.425 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 20.0 m 59.74 38.11 21.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -118.65 131.79 56.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.9 pt -126.58 156.89 37.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -111.04 130.16 55.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.08 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.8 mt -94.23 141.76 28.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -129.07 128.85 44.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.772 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -78.58 155.31 29.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.51 -28.43 62.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.604 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -61.66 -35.51 78.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 121.67 37.19 0.68 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.523 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -137.83 164.25 29.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.343 . . . . 0.0 110.94 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -103.27 132.59 49.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.784 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.1 mt -60.55 111.69 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -128.0 135.84 8.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.488 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.3 pt -87.22 133.31 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.79 0.329 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -69.09 169.8 11.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.0 t -60.3 -31.42 70.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.8 -31.5 66.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 114.2 32.46 2.0 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.526 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 tp -107.01 134.91 49.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.6 t -76.63 114.83 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.3 m -140.89 179.56 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.38 82.67 0.17 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -131.58 34.68 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 m -144.28 147.66 33.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -111.06 31.59 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -132.89 131.42 40.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.2 mt -77.72 78.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -87.71 175.88 45.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.35 -43.14 56.18 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.614 2.209 . . . . 0.0 112.244 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -70.0 -32.27 70.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.04 -28.95 63.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -58.51 157.87 8.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.424 ' CE3' ' CD2' ' A' ' 116' ' ' LEU . 96.2 m95 -137.52 -179.95 6.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -160.6 88.12 1.77 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.9 164.12 1.73 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.541 2.161 . . . . 0.0 112.235 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -143.07 159.18 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 114' ' ' MET . 90.5 m-85 -151.65 122.36 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -142.92 125.8 16.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.95 29.39 18.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.49 -32.56 6.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.565 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -65.53 179.25 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.933 0.397 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.417 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 1.5 ptp -149.46 155.65 40.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -160.94 142.21 11.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.424 ' CD2' ' CE3' ' A' ' 105' ' ' TRP . 6.1 tp -96.49 129.51 43.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 tp -109.33 124.46 50.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.409 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -66.2 171.48 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.5 t -73.26 -7.75 52.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.328 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 38.8 p30 -96.01 25.14 4.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.67 0.271 . . . . 0.0 111.181 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 m 55.5 33.79 21.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 9.0 m -136.83 135.32 37.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.417 ' CE2' ' HB1' ' A' ' 139' ' ' ALA . 60.7 m-85 -68.78 169.25 11.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.761 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.1 pt -100.43 158.57 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -176.47 137.89 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 21.5 p -78.25 168.86 19.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -115.2 172.33 7.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -84.24 -31.61 24.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.07 -47.85 26.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 139.48 44.51 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -148.25 100.77 3.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.4 mt -71.39 120.29 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.051 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -131.0 154.8 47.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.97 110.82 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.8 176.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -59.61 176.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.08 -30.97 71.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.962 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.39 118.05 5.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.417 ' HB1' ' CE2' ' A' ' 123' ' ' PHE . . . -105.09 107.57 18.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -96.7 177.11 32.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.429 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.14 -42.29 94.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 110.807 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.93 -35.71 77.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -26.22 68.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 26.1 mmt -56.06 116.04 2.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 4.6 pt -105.89 179.97 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -132.19 106.57 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 2.0 mp -92.2 116.36 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -94.81 159.85 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 29.3 t -136.43 129.15 30.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.988 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . 0.412 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 29.9 p -108.66 32.21 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -82.25 159.9 23.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.52 127.69 33.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.68 171.95 14.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 60.22 31.34 20.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.217 -0.896 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p -78.0 93.71 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.37 104.96 17.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.79 -87.88 0.1 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -112.96 145.46 40.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.311 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -103.91 124.32 48.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.76 -75.82 0.35 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.512 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.5 tp -85.73 144.73 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -141.71 119.22 11.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.5 tt -115.17 114.4 46.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.064 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.9 t -104.55 101.37 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.76 -82.27 0.31 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.425 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.4 pt -139.26 31.46 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.425 ' CD1' HG13 ' A' ' 13' ' ' ILE . 75.3 m95 -138.72 114.73 10.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.828 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.404 ' CZ3' HG12 ' A' ' 17' ' ' VAL . 47.2 p-90 -103.52 132.51 49.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 m -67.86 131.53 45.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.404 HG12 ' CZ3' ' A' ' 15' ' ' TRP . 11.6 m -77.61 167.07 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -121.41 -42.67 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -126.89 179.24 5.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.422 ' CZ ' HG22 ' A' ' 74' ' ' ILE . 48.0 t80 -69.2 -34.54 75.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.23 -28.6 69.43 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.547 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.32 -32.95 49.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.0 mt -75.79 111.84 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.27 123.24 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.0 -157.44 19.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.435 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.4 m -63.6 112.43 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.2 pt -127.52 173.21 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.54 168.11 16.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.3 mt -142.29 127.77 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -120.99 112.04 18.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 15.6 mtt -88.86 -55.01 3.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.31 179.11 7.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.798 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -78.08 83.08 4.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.4 -29.46 11.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.19 147.19 32.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -119.36 173.54 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 25.6 mt -77.36 115.27 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -98.66 124.76 43.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.0 147.39 25.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.067 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.1 mt -116.88 152.43 34.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -81.67 -28.65 33.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.057 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -56.12 -25.55 46.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.04 31.91 1.64 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.556 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mt -143.68 179.76 6.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 110.81 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -135.59 119.1 16.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.2 t -118.9 158.52 25.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.1 tp -75.7 121.95 23.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.37 169.36 54.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.441 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.15 143.07 64.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.661 0.267 . . . . 0.0 111.033 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -74.19 173.52 14.0 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.541 2.161 . . . . 0.0 112.316 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -109.18 145.31 36.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -74.22 -49.84 21.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -74.29 153.51 39.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.52 -64.79 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -69.04 83.7 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -146.01 121.38 10.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.03 156.56 43.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.528 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.23 164.16 36.02 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.518 2.146 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.92 161.54 78.1 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.532 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 59.0 Cg_exo -50.61 -49.96 15.12 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.563 2.176 . . . . 0.0 112.702 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 41.8 Cg_endo -67.48 -25.21 41.62 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.12 1.88 . . . . 0.0 112.229 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -77.1 -31.69 56.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -66.67 112.95 4.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -99.52 177.2 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -138.43 118.45 13.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.6 134.59 34.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.7 t -127.79 124.69 63.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -63.79 153.02 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.5 mt -140.58 -73.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 m 179.96 154.7 0.56 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 62.23 34.27 16.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.026 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.6 m 61.05 39.07 16.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.13 133.09 56.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.789 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.422 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 2.8 pt -124.35 139.89 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.065 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.05 128.11 40.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.5 mt -89.16 131.93 35.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -119.19 133.96 55.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.1 p -80.39 150.52 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.5 -30.7 68.84 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -60.96 -31.21 70.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.02 45.64 0.58 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.585 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -146.5 164.76 31.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.832 0.349 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -97.52 139.29 33.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 64.2 mt -79.31 108.41 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -116.32 152.29 17.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.546 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.3 pt -97.43 136.03 29.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 111.179 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -77.74 175.37 10.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 91.7 p -75.12 -39.52 60.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -28.74 69.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 115.5 29.48 2.47 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 tp -114.21 115.79 28.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.4 t -69.27 121.63 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.8 m -138.11 -179.98 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.36 102.52 0.51 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -172.68 82.23 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.37 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.0 m -154.34 -45.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.3 t70 62.61 34.81 14.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -164.83 148.44 8.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.8 mt -76.08 84.88 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.68 166.16 23.74 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.18 -37.01 68.98 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.587 2.191 . . . . 0.0 112.349 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.5 mtt85 -74.46 -31.67 62.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 1.2 mp0 -71.92 -12.36 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.288 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -74.45 150.77 39.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.897 0.38 . . . . 0.0 111.03 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.419 ' CE3' ' HA ' ' A' ' 118' ' ' ALA . 73.6 m95 -140.51 149.31 42.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.726 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -127.76 97.53 29.95 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.072 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.73 152.31 17.3 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.397 2.065 . . . . 0.0 112.132 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.61 154.66 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.227 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.418 ' CD2' ' HB3' ' A' ' 114' ' ' MET . 29.4 m-85 -144.47 122.24 11.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.768 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.34 133.51 22.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.986 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 58.41 27.15 15.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.059 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.33 -33.47 5.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.612 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -77.3 179.98 6.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.418 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 3.1 ptt? -147.48 141.19 25.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -138.94 117.85 12.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.18 133.96 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.4 tp -110.92 123.55 50.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.419 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -69.67 167.93 15.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.1 t -67.06 -13.31 61.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.192 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -93.89 21.01 7.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.236 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.1 m 55.36 36.26 26.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.805 0.336 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 44.6 m -140.36 127.15 20.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -67.11 149.23 50.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 45.0 pt -89.44 144.84 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -149.01 128.55 13.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 20.3 p -79.41 154.87 28.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -111.7 166.36 11.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.42 -33.12 62.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.69 -29.57 69.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 114.14 28.92 2.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.546 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -123.7 116.23 22.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.757 0.313 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 26.9 mt -93.7 124.13 46.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.3 179.88 6.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -93.88 106.47 18.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.201 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 170.83 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -59.12 172.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -60.33 -40.79 91.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 16.6 p -67.16 102.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -83.46 106.53 15.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -65.51 176.89 13.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.42 -40.52 91.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -71.91 -31.1 66.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -25.33 64.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 34.7 mmt -55.57 145.42 23.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.029 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 3.1 pt -132.64 175.18 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -132.14 109.52 10.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 26.2 mt -91.44 119.96 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 29.4 mtt-85 -113.72 157.87 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.63 147.12 51.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 26.0 p -109.78 35.03 3.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -83.31 163.84 20.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -76.57 128.29 34.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 19.9 mtm105 -103.51 167.53 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -106.37 31.23 5.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 23.3 m . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.889 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -96.62 175.57 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.336 . . . . 0.0 110.945 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 p -69.93 104.87 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.84 170.94 21.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.81 91.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.778 0.323 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.5 t 60.76 107.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.63 143.78 15.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.457 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -160.25 152.68 20.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.724 0.297 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -94.69 131.3 40.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.782 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.4 tt -138.89 122.12 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t -100.17 91.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.41 -82.02 0.7 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.387 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.405 HG13 ' CD1' ' A' ' 14' ' ' TRP . 46.0 pt -136.28 29.29 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.795 0.331 . . . . 0.0 111.089 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.418 ' CE3' ' HB3' ' A' ' 150' ' ' CYS . 46.3 m95 -133.53 120.76 21.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.409 ' CE2' ' HG3' ' A' ' 153' ' ' ARG . 22.4 p-90 -117.15 135.68 53.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 m -69.47 141.03 54.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.7 m -78.0 177.02 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.089 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.7 m -124.57 -43.94 2.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.42 172.62 11.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -57.98 -42.4 85.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.008 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.59 -20.64 52.51 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.705 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.17 -32.43 38.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.741 0.305 . . . . 0.0 110.952 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.3 mt -70.72 124.79 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.076 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.9 t -177.43 150.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.99 -133.95 17.74 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.6 m -90.75 127.45 36.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp -141.15 134.98 31.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.26 148.01 27.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.8 mt -116.96 155.96 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -145.1 116.7 8.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 45.4 mtt -86.35 -52.68 5.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -89.32 176.22 7.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.797 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -83.0 81.72 8.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.41 -28.2 7.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.437 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.47 139.03 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -121.77 167.55 12.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.24 128.39 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -115.04 139.82 49.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.418 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . . . -99.49 134.98 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 mt -93.66 156.3 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -31.48 72.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -70.41 -31.15 68.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 133.46 -26.77 3.47 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.39 179.95 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.854 0.359 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 39' ' ' ALA . 25.0 m-85 -141.91 127.83 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 t -125.08 156.39 38.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.6 tp -72.51 114.26 10.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.0 149.56 51.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.446 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.41 138.16 96.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.5 0.19 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.55 157.97 8.67 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.437 2.092 . . . . 0.0 112.303 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -82.34 162.22 22.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -71.71 -74.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.41 158.99 31.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.99 -31.32 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -104.29 85.09 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -147.51 142.93 27.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.74 152.61 35.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.92 155.8 57.22 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.526 2.151 . . . . 0.0 112.347 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.3 m -76.69 162.37 70.78 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.834 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.489 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 52.0 Cg_exo -53.83 -45.13 43.31 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.498 2.132 . . . . 0.0 112.735 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 60' ' ' PRO . 27.9 Cg_exo -61.46 -29.99 86.03 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.427 2.085 . . . . 0.0 112.026 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 19.6 mt-10 -81.91 -29.44 32.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -67.7 143.87 55.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' A' ' 62' ' ' GLU . 96.8 m-85 -134.51 150.13 50.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -103.12 124.76 49.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.76 161.54 14.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.15 109.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -63.08 128.14 34.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.6 mt -112.15 -76.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.8 p -179.68 154.71 0.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 59.75 41.07 18.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m 62.13 31.49 17.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -111.21 125.85 54.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 18.5 pt -129.31 144.37 38.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.047 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.72 176.59 7.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.6 mt -145.84 130.72 18.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -123.38 132.35 53.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.52 158.66 25.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.74 -28.78 66.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.407 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -62.09 -30.36 70.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.39 29.71 2.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.59 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -124.75 176.06 6.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.736 0.303 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -114.66 129.39 56.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.3 mt -65.33 139.53 58.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.43 159.42 28.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.596 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 pt -108.19 149.67 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -91.22 162.18 14.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -31.8 70.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.3 -43.98 80.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 135.0 48.72 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.62 159.28 42.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.9 t -109.47 102.91 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.0 m -130.15 137.64 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -102.54 79.96 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.571 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -144.44 79.3 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.794 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.52 -44.71 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.9 t0 67.14 33.04 5.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.959 0.409 . . . . 0.0 110.813 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -168.05 141.67 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.995 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 mt -70.42 98.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -114.74 -178.18 18.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.54 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.96 -44.15 10.47 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.602 2.202 . . . . 0.0 112.182 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -62.68 -29.88 70.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.412 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 11.6 mp0 -78.67 -19.9 51.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.216 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -68.03 148.65 50.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.825 0.345 . . . . 0.0 111.091 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.426 ' CE3' ' HA ' ' A' ' 118' ' ' ALA . 81.8 m95 -134.19 -179.92 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.776 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -155.83 92.65 2.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.993 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.31 116.42 4.5 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.537 2.158 . . . . 0.0 112.245 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.18 145.12 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -119.85 129.11 54.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.82 112.39 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 59.56 36.18 22.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.54 -33.4 5.7 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -64.08 178.57 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 9.0 ptp -154.53 151.38 28.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.84 143.04 21.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.0 tp -85.23 113.75 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.3 tp -98.06 130.78 44.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.426 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -83.05 169.4 15.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.7 t -68.81 -11.28 60.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.229 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -94.75 22.39 6.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.674 0.273 . . . . 0.0 111.288 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.7 m 55.28 36.49 27.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.228 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 4.9 m -138.75 130.09 27.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -69.05 159.02 33.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 44.7 pt -77.52 155.81 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.23 141.5 16.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 11.1 p -105.04 118.75 37.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -78.15 168.84 19.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -78.2 -39.17 41.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.78 -30.36 71.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 117.06 34.24 1.26 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -124.39 100.5 6.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.788 0.328 . . . . 0.0 110.949 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 33.8 mm -69.96 108.83 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.058 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -120.73 154.58 35.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -83.43 110.9 18.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.29 174.1 8.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -60.21 176.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -63.84 -29.53 70.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.4 p -57.74 100.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.68 102.38 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -87.95 179.99 47.21 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.54 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -63.99 -39.28 93.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.787 0.327 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -70.99 -37.25 72.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -63.43 -26.92 68.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.0 mmt -56.45 135.52 54.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.4 pt -135.31 -179.98 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -144.62 89.81 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 7.2 mt -66.72 106.62 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -85.35 173.69 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.3 t -151.63 131.9 13.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . 0.418 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 9.9 p -105.66 31.61 4.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.79 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -92.7 173.15 7.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.65 130.92 42.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . 0.409 ' HG3' ' CE2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -79.66 156.58 27.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.951 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -105.8 84.32 2.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.18 -0.915 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.49 174.1 13.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.82 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -115.32 131.7 56.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.05 160.49 13.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -87.3 166.66 14.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 p -113.47 123.32 49.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.17 -42.04 2.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.6 tp -81.82 149.66 28.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.823 0.344 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.76 94.7 6.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.3 tp -100.82 127.65 53.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.98 94.36 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.47 -72.77 0.46 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.361 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 pp -149.52 29.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 111.134 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.414 ' CE3' ' HB3' ' A' ' 150' ' ' CYS . 94.2 m95 -128.7 96.29 4.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.788 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 52.0 p-90 -94.86 122.37 37.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.86 163.4 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -107.45 132.46 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.225 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m -91.19 -37.35 13.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -132.01 173.29 11.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.421 ' CE2' ' HA ' ' A' ' 72' ' ' SER . 79.7 t80 -72.77 -34.58 67.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.039 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.37 -25.07 54.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.687 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.3 -30.11 24.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.018 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mt -64.52 117.24 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 p -177.26 140.14 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.753 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.0 -146.57 19.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.2 m -80.32 131.85 35.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.5 pt -143.57 173.97 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.64 153.16 51.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.7 mt -122.8 126.3 73.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.038 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -115.97 118.83 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.4 mtp -95.27 -48.63 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.88 171.31 8.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -75.01 81.93 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.76 -28.54 9.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.554 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.59 134.2 34.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.813 0.34 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -113.87 163.6 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.7 mt -70.71 122.66 23.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -103.94 135.96 44.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.81 139.56 36.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.4 mt -107.64 151.67 25.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -73.89 -31.08 62.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -58.9 -26.27 64.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.27 28.62 2.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -133.36 179.89 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.779 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.406 ' CE2' HD22 ' A' ' 84' ' ' LEU . 33.7 m-85 -141.61 139.27 33.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.6 t -132.7 179.95 5.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.4 tp -95.0 107.53 19.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.31 175.81 3.08 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.443 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.92 145.19 29.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.715 0.293 . . . . 0.0 111.087 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.38 135.12 21.87 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.512 2.141 . . . . 0.0 112.326 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -67.18 164.33 18.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.77 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.7 mtt-85 -73.97 -72.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -67.41 172.69 4.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.3 p -89.0 -34.43 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -89.57 79.84 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -151.05 122.43 7.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.787 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.41 156.11 42.66 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.599 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.58 151.92 64.74 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.556 2.171 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.2 m -63.82 162.98 24.54 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.749 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.504 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 49.0 Cg_exo -54.38 -45.19 42.86 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.5 2.133 . . . . 0.0 112.651 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 60' ' ' PRO . 37.5 Cg_exo -59.6 -27.74 85.71 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.552 2.168 . . . . 0.0 112.086 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.418 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 7.1 mt-10 -85.86 -28.42 24.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.02 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -60.62 123.97 19.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.423 ' CD1' ' HA ' ' A' ' 78' ' ' SER . 85.1 m-85 -111.27 171.14 7.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.1 m -130.51 129.08 42.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.71 145.57 25.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.68 109.75 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -62.63 143.01 57.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.4 mt -125.99 -68.03 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.016 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.9 p 179.92 152.06 0.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 t0 58.61 39.45 24.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.99 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.421 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 2.2 m 60.66 37.3 19.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.4 mmm-85 -117.33 110.17 17.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.3 pt -105.81 161.16 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -112.35 134.91 53.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.3 mt -99.59 144.28 28.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.423 ' CE ' ' CZ ' ' A' ' 83' ' ' TYR . 5.8 ttmm -135.96 128.83 31.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.423 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . 3.3 p -68.22 155.07 40.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.13 -27.84 60.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.552 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -66.02 -43.0 88.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.1 45.1 0.17 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.553 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -141.68 152.85 44.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.837 0.351 . . . . 0.0 110.826 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.423 ' CZ ' ' CE ' ' A' ' 77' ' ' LYS . 97.8 m-85 -89.29 132.63 34.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.406 HD22 ' CE2' ' A' ' 45' ' ' PHE . 42.6 mt -66.49 97.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -112.15 131.49 10.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.06 127.3 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -59.55 160.07 7.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -36.49 83.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -62.83 -44.82 95.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.53 44.18 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.39 152.8 47.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.812 0.339 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -95.4 117.1 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.1 m -137.88 175.42 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.92 93.02 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.87 33.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.2 134.48 46.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -98.69 31.01 3.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.14 166.64 23.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.5 mt -104.11 81.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -91.56 -165.78 39.76 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.0 -40.71 4.64 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.636 2.224 . . . . 0.0 112.283 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 41.1 mtt85 -66.72 -30.82 71.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 25.2 mp0 -75.04 -26.94 59.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -56.49 155.21 7.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.405 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 97.6 m95 -142.87 179.99 6.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -162.24 96.15 1.21 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.84 168.03 21.46 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.436 2.091 . . . . 0.0 112.247 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.03 158.9 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.421 ' CD2' ' HB3' ' A' ' 114' ' ' MET . 96.9 m-85 -152.76 120.11 5.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -144.7 124.59 13.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 59.39 28.81 18.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.8 -32.08 6.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -65.59 172.5 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.421 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 3.4 ptp -153.39 150.62 29.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.989 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.32 155.05 35.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.156 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.7 tp -107.05 130.52 54.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 31.1 tp -108.39 128.28 54.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.33 165.54 24.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.7 t -67.72 -14.15 62.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.289 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 56.5 p30 -96.25 24.94 5.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.778 0.323 . . . . 0.0 111.198 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.8 p 57.37 41.38 26.5 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 26.0 m -146.86 122.44 10.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -59.92 167.61 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 39.8 pt -94.61 164.97 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -176.52 137.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 20.3 p -94.11 146.48 23.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -90.52 175.51 7.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -82.01 -31.76 30.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.9 -33.94 51.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 124.73 40.78 0.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.528 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -127.29 99.85 5.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 33.4 mt -74.62 117.38 18.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.145 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.92 168.87 18.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -82.2 123.72 29.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -83.74 165.0 19.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -51.3 168.68 0.06 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -59.64 -36.7 76.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 30.0 p -58.87 102.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -78.17 87.06 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -61.7 179.95 3.67 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.8 -37.7 73.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.793 0.33 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -72.62 -31.62 65.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -28.34 68.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 32.7 mmt -57.09 137.61 55.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.994 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 8.3 pt -119.07 -179.99 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -135.07 95.29 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 8.0 mt -80.99 128.1 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -124.29 145.29 49.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.57 162.38 14.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . 0.414 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 26.9 p -138.5 35.77 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -84.7 174.17 10.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.94 117.35 19.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 19.4 mtm-85 -91.01 165.98 13.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -152.38 31.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.935 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t -88.71 133.11 34.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -110.05 36.14 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.58 141.55 47.44 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.86 169.79 8.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -125.29 -44.5 1.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.32 142.45 4.19 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tp -127.36 137.31 52.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.845 0.355 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -99.55 128.1 45.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 tt -126.6 136.33 61.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.6 96.71 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.74 -85.73 0.11 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.423 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.2 pt -130.91 30.75 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.423 ' CD1' HG13 ' A' ' 13' ' ' ILE . 84.5 m95 -135.02 143.88 47.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.421 ' CD1' ' HD3' ' A' ' 153' ' ' ARG . 56.9 p-90 -139.58 135.53 33.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.34 143.24 52.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.8 m -81.41 170.03 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.2 p -127.14 -45.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -129.84 173.6 10.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 72' ' ' SER . 26.3 t80 -59.72 -44.99 93.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.44 -26.24 51.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.629 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -74.08 -34.86 64.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 30.0 mt -75.28 113.06 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.079 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.06 100.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.43 -147.73 16.95 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.425 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.9 m -78.17 126.98 31.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.422 ' CD1' ' N ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -141.58 147.82 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.34 133.49 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -109.27 127.3 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.218 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.42 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 10.9 tt0 -105.56 108.79 20.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.9 mtt -80.85 -67.71 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.3 178.06 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.97 84.56 4.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.9 -29.38 10.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.73 153.39 24.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.819 0.342 . . . . 0.0 111.078 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.42 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 71.9 m-85 -124.11 178.89 5.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.9 mt -81.69 123.04 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -107.72 149.43 28.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.64 159.32 16.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.7 mt -128.01 169.23 14.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.949 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.72 -33.43 15.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.949 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -59.93 -29.42 68.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.07 35.17 0.97 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.528 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 mt -137.46 172.48 12.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.402 ' CE2' HD23 ' A' ' 84' ' ' LEU . 17.3 m-85 -134.81 117.11 15.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.987 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -112.7 169.85 8.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.0 tp -73.6 115.55 13.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.48 168.83 6.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.64 124.26 90.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.541 0.21 . . . . 0.0 111.052 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.59 131.86 22.38 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.402 2.068 . . . . 0.0 112.322 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -81.62 120.0 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -46.45 89.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -72.48 143.62 48.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.08 -32.01 31.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.09 86.79 4.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -159.39 123.04 3.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.09 147.38 33.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.412 ' HD2' ' CE2' ' A' ' 14' ' ' TRP . 50.7 Cg_exo -53.31 155.21 12.83 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.514 2.143 . . . . 0.0 112.285 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.9 m -72.83 160.91 81.72 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.538 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 54.1 Cg_exo -50.91 -48.71 19.63 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.571 2.181 . . . . 0.0 112.653 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 52.7 Cg_endo -69.56 -19.89 36.48 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.149 1.899 . . . . 0.0 112.467 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -83.24 -30.89 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.957 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -62.11 130.91 47.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -115.18 159.24 21.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.15 124.8 45.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.5 155.16 24.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.019 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.01 113.16 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -64.57 148.06 51.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.788 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.8 mt -139.71 -72.06 0.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 m 179.95 153.78 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 58.66 34.36 23.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 68.9 m 61.16 31.43 19.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -108.87 109.11 20.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.747 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.42 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 23.3 pt -102.24 170.13 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.283 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.56 124.87 43.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.3 mt -84.29 117.64 23.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -104.6 118.95 37.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 94.9 p -60.31 167.15 2.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.64 -39.14 94.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.547 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -60.2 -30.46 69.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.78 0.324 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.4 30.5 2.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -118.0 146.46 44.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -82.42 132.97 35.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.402 HD23 ' CE2' ' A' ' 45' ' ' PHE . 73.1 mt -70.83 120.7 16.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -131.16 134.14 7.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.519 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 pt -76.73 130.68 36.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -64.59 175.22 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 43.0 t -60.3 -41.19 92.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.21 -45.57 55.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.86 44.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.533 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.42 137.66 48.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.0 t -76.02 83.52 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.0 m -104.81 167.53 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -137.34 86.72 0.23 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -156.46 79.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.37 -47.69 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.1 t0 60.28 31.71 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -154.85 143.36 20.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.5 mm -71.04 110.55 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.204 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -131.87 168.22 22.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.6 -48.47 21.7 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.641 2.227 . . . . 0.0 112.304 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -64.99 -35.77 82.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 1.4 mp0 -74.37 -27.0 60.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.066 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -58.9 138.13 57.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.425 ' CE3' ' HA ' ' A' ' 118' ' ' ALA . 97.9 m95 -122.36 -179.99 4.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -165.26 95.1 0.86 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.968 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.09 145.47 61.13 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.477 2.118 . . . . 0.0 112.257 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.21 157.0 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.077 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -140.02 139.44 35.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.99 106.57 3.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 59.63 36.72 22.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.986 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.78 -39.53 2.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.466 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -59.54 167.05 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.767 0.318 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 2.8 ptp -154.09 155.2 34.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -160.95 118.25 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.8 tp -64.46 117.69 7.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.42 HD11 ' CD1' ' A' ' 123' ' ' PHE . 18.8 tp -100.25 131.51 46.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.425 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -82.44 171.15 14.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.2 t -67.52 -12.13 59.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -94.13 22.74 5.56 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.727 0.298 . . . . 0.0 111.165 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.85 32.19 19.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.895 0.378 . . . . 0.0 111.102 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.5 m -138.08 132.56 32.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.42 ' CD1' HD11 ' A' ' 117' ' ' LEU . 75.0 m-85 -67.44 -179.99 1.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.2 pt -110.86 145.65 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -156.45 143.7 19.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 20.7 p -93.54 156.3 16.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -105.01 176.08 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -86.86 -31.53 20.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.39 -34.66 68.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 124.26 46.2 0.26 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.437 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -136.92 110.13 7.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.8 mt -89.38 111.45 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.055 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -133.51 173.7 11.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -81.91 119.07 23.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.61 167.46 20.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -58.4 171.51 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -59.54 -33.57 71.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 82.2 p -64.63 120.02 11.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -92.14 116.66 29.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -95.33 175.18 33.02 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.446 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -37.01 85.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.842 0.353 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.52 -32.59 64.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.4 -25.99 66.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 11.6 mmt -55.54 120.82 7.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.033 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 2.0 pt -108.9 164.47 5.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -125.17 88.1 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 10.0 mt -68.77 93.12 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -85.6 147.97 26.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.87 151.37 48.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 25.3 p -117.64 36.21 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -93.5 173.01 7.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -83.0 123.59 29.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . 0.421 ' HD3' ' CD1' ' A' ' 15' ' ' TRP . 26.6 mtm-85 -93.5 162.66 13.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.63 115.42 29.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.909 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 p -108.16 -32.02 7.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -77.6 109.18 11.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.34 176.11 29.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -117.79 -66.24 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m 60.8 48.36 7.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.31 39.62 2.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.552 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.04 138.11 39.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -86.37 158.25 19.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -147.7 133.36 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.1 95.8 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.63 -83.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.534 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.415 HG13 ' CD1' ' A' ' 14' ' ' TRP . 0.9 OUTLIER -132.47 30.92 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 111.062 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.415 ' CD1' HG13 ' A' ' 13' ' ' ILE . 56.7 m95 -134.93 134.92 41.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 37.1 p-90 -120.37 129.66 54.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.3 m -66.38 140.52 58.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.2 m -79.42 149.58 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.4 t -108.4 -32.84 7.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -132.12 179.62 5.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.415 ' CZ ' ' HA ' ' A' ' 72' ' ' SER . 27.0 t80 -74.66 -37.91 62.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.17 -28.37 64.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -75.22 -28.94 60.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.931 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.9 mt -70.23 102.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.013 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.1 m -164.06 135.8 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.45 -154.93 30.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 m -67.3 130.69 43.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 pt -145.23 149.45 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.42 147.78 40.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.0 mt -118.52 149.72 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -134.72 101.04 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.6 mtt -77.55 -47.48 19.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -98.51 178.17 5.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.56 86.85 6.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.67 -26.72 18.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.55 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.47 151.53 23.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -126.0 169.78 12.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.0 mt -74.3 113.03 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -99.93 141.83 32.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.416 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . . . -105.87 134.09 49.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.9 mt -88.44 143.35 27.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.92 -30.47 67.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -65.1 -38.51 90.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.82 -26.1 2.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.589 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mt -76.41 179.04 6.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.791 0.329 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.416 ' CE2' ' HB3' ' A' ' 39' ' ' ALA . 18.5 m-85 -132.92 141.36 48.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.791 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -140.1 162.6 34.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.9 tp -66.85 122.53 17.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.16 179.06 32.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.83 120.0 70.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.462 0.173 . . . . 0.0 111.077 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -52.23 146.96 29.46 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.417 2.078 . . . . 0.0 112.323 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -78.66 140.0 38.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -67.06 -34.59 78.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.83 156.55 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.43 -51.18 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -91.2 79.94 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -135.07 176.12 8.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -113.14 151.0 18.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.09 160.67 48.78 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.527 2.152 . . . . 0.0 112.324 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 m -74.55 162.6 72.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.514 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 51.9 Cg_exo -52.04 -48.0 23.81 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.604 2.203 . . . . 0.0 112.624 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 59.4 Cg_endo -72.42 -24.42 19.3 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.123 1.882 . . . . 0.0 112.385 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 20.7 mt-10 -76.92 -31.25 56.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -65.0 134.47 53.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.402 ' CE2' ' O ' ' A' ' 62' ' ' GLU . 99.4 m-85 -119.99 169.1 10.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.22 132.37 48.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.12 154.46 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -152.27 112.83 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.187 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -66.76 137.38 56.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.2 mt -122.28 -68.0 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.993 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.93 155.33 0.59 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 57.84 34.79 24.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.006 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 2.8 m 60.42 44.42 12.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -118.41 116.92 27.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.2 pt -110.09 142.31 22.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.36 123.41 46.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.9 mt -79.39 135.9 36.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -121.5 121.03 36.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 76.2 p -68.95 155.13 40.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.47 -29.06 65.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.555 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -66.04 -37.04 84.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.801 0.334 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 124.39 40.61 0.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -135.86 164.37 28.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -102.72 125.18 49.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.7 mt -64.46 127.64 32.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -144.51 153.15 24.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.574 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.9 pt -87.46 144.57 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.771 0.319 . . . . 0.0 111.16 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -83.63 175.88 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -31.46 60.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.5 -45.94 42.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.0 59.64 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.546 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.5 tp -144.41 149.07 35.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.864 0.364 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.7 t -92.7 96.8 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.6 m -110.42 177.99 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.06 93.58 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.88 38.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.374 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.77 122.12 25.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.74 -33.55 74.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.38 178.5 5.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.064 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 26.7 mt -135.28 85.28 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.175 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -91.72 -177.8 42.5 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.438 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.31 -43.39 54.18 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.568 2.179 . . . . 0.0 112.307 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -30.89 69.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.411 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 2.2 mp0 -82.05 -23.34 35.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -65.09 153.99 39.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 111.058 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.411 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 72.5 m95 -142.29 137.56 30.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.722 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.13 101.48 41.46 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.029 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.56 171.39 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.402 2.068 . . . . 0.0 112.229 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.8 t -152.63 96.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.204 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -99.95 120.77 40.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.795 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -142.97 121.66 12.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.022 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 57.93 31.64 20.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.51 -29.43 10.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.431 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -59.66 -179.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 6.0 ptm -168.59 129.08 1.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -143.91 153.33 42.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.049 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 tp -101.35 112.77 25.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.4 tp -94.62 123.36 38.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.51 168.95 17.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.7 t -71.93 -9.7 58.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.381 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 46.0 p30 -95.8 23.95 5.82 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.748 0.309 . . . . 0.0 111.201 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.88 37.69 26.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.088 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 21.0 m -146.69 129.61 16.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.861 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -65.99 179.59 0.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 20.2 pt -105.29 139.97 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.213 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.15 134.8 14.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 21.6 p -91.43 155.95 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -105.16 167.23 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -76.71 -31.71 57.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.63 -44.99 47.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 135.35 44.3 0.1 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.481 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -136.78 99.07 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.9 mt -76.37 107.03 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -116.94 173.45 6.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -94.16 102.23 14.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.96 163.47 12.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -53.13 172.85 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.164 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -59.34 -32.51 70.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 68.0 p -60.38 97.33 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -79.57 98.53 6.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -75.35 177.64 48.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -31.52 72.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -83.6 -32.01 25.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.75 -29.48 70.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.2 mmt -58.53 159.14 6.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 2.8 pt -136.06 174.22 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.211 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -133.18 99.85 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 4.6 mt -82.78 128.3 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 31.6 mtt-85 -123.37 156.01 36.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 28.2 t -131.28 133.87 45.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . 0.409 ' HB3' ' CD2' ' A' ' 14' ' ' TRP . 26.4 p -102.88 31.74 4.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.95 172.09 9.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.057 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.5 125.11 28.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -82.26 133.87 35.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.88 82.03 2.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.912 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -163.01 173.3 13.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 m -100.32 121.4 41.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.32 -59.82 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -157.02 103.23 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.77 0.319 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.56 -47.75 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.93 -101.45 0.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tt -159.63 128.14 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.73 140.32 58.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.5 tp -141.35 145.38 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.17 89.56 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.1 -72.2 0.42 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.409 HG13 ' CD1' ' A' ' 14' ' ' TRP . 7.1 pt -150.73 30.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 111.124 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.421 ' CZ2' ' HD2' ' A' ' 58' ' ' PRO . 86.4 m95 -132.61 90.49 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 56.2 p-90 -85.35 135.84 33.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.17 139.22 48.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.4 m -75.98 174.03 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.6 m -128.71 -45.91 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -126.44 -178.29 4.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.407 ' CZ ' ' HA ' ' A' ' 72' ' ' SER . 70.3 t80 -69.22 -41.84 76.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.28 -27.69 63.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.583 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -75.99 -31.28 58.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.4 mt -72.47 107.15 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.056 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.9 m -164.42 138.28 5.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.43 -158.77 29.06 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.576 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.9 m -71.16 120.2 16.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.4 pt -137.97 145.92 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.55 162.15 14.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.3 mt -134.79 135.79 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.159 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -116.9 114.47 23.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 49.1 mtt -82.55 -50.26 8.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.7 -179.97 4.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.66 81.3 1.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.16 -27.29 16.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.8 133.47 41.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.751 0.31 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -117.73 148.87 41.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mt -60.92 97.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.044 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -78.99 143.3 35.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.412 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . . . -106.88 134.27 50.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.3 mt -94.5 144.82 25.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.76 -30.21 67.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -67.74 -38.18 83.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.47 -23.24 2.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.538 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.08 168.72 18.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.415 ' CE2' HD21 ' A' ' 84' ' ' LEU . 35.2 m-85 -131.1 127.84 38.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 t -124.21 168.81 12.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.4 tp -73.62 110.15 7.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.06 151.89 52.59 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.463 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.32 148.94 97.65 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.697 0.284 . . . . 0.0 111.055 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.86 147.88 56.73 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.585 2.19 . . . . 0.0 112.316 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -74.16 146.89 43.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -53.53 46.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -91.51 177.79 6.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.62 -31.14 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.68 91.67 4.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -159.44 146.42 16.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.775 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.51 144.4 19.03 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.421 ' HD2' ' CZ2' ' A' ' 14' ' ' TRP . 50.8 Cg_exo -53.84 163.56 2.93 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.49 2.127 . . . . 0.0 112.327 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.6 p -68.04 163.29 52.24 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.8 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.51 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 52.2 Cg_exo -51.51 -47.95 23.67 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.517 2.145 . . . . 0.0 112.67 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 62.3 Cg_endo -73.4 -24.0 16.9 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.083 1.855 . . . . 0.0 112.397 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -72.4 -38.39 68.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -61.48 104.29 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -89.31 149.85 22.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.838 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.35 114.03 27.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.94 151.44 31.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.23 113.42 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -72.04 148.4 45.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mt -133.55 -67.58 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 51.2 p -180.0 160.53 0.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.4 t0 59.42 31.07 20.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.978 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.407 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 0.8 OUTLIER 60.61 36.76 19.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -116.46 112.78 21.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.4 pt -103.96 164.35 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.22 135.34 52.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 26.7 mt -96.13 149.03 22.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.3 tttt -134.26 113.45 11.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 p -60.01 153.01 22.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.992 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.67 -27.66 68.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.544 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.19 -30.69 68.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 110.945 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.61 35.94 1.03 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.424 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -136.37 173.03 12.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -112.73 128.26 56.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.415 HD21 ' CE2' ' A' ' 45' ' ' PHE . 38.4 mt -60.07 121.54 12.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -135.43 148.02 19.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.549 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 pt -101.41 128.56 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 111.109 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -66.89 171.09 5.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.05 -33.68 73.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -67.42 -31.34 71.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.18 33.5 1.48 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.416 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.9 tp -110.63 148.29 32.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -89.36 117.19 32.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.2 m -139.34 178.49 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.214 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -163.72 106.52 0.28 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -157.88 31.27 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 t -120.56 132.75 55.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -98.48 31.0 2.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -156.41 164.03 38.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.6 mm -81.37 144.87 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.06 -172.17 22.48 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.449 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.02 -35.21 9.3 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.585 2.19 . . . . 0.0 112.283 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -75.69 -33.69 60.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.409 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 32.9 mp0 -76.39 -8.54 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.341 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -73.31 135.33 44.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.797 0.332 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.409 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 87.0 m95 -128.8 170.77 12.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -154.08 92.5 3.04 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -51.31 148.63 18.58 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.562 2.175 . . . . 0.0 112.375 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.11 111.81 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -93.31 137.92 32.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.967 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -140.26 98.86 3.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 60.0 49.56 7.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.95 -45.77 2.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.415 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -63.85 179.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.818 0.342 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.45 153.47 31.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.66 104.82 2.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.1 tp -61.23 124.14 19.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.421 HD12 ' CZ ' ' A' ' 123' ' ' PHE . 5.7 tp -98.12 121.02 39.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.57 166.66 10.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.065 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.8 t -61.68 -17.08 54.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -94.85 23.82 5.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.285 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.5 p 55.17 39.36 31.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.083 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 66.4 m -135.78 141.84 44.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.421 ' CZ ' HD12 ' A' ' 117' ' ' LEU . 91.1 m-85 -88.24 133.98 33.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 27.5 pt -61.38 149.41 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -164.05 135.32 4.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 27.4 p -84.14 172.72 11.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -122.78 179.66 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -86.79 -31.65 20.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.31 -42.38 25.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 132.81 49.83 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -142.75 106.63 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 31.2 mt -83.63 121.76 36.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.048 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -136.1 166.55 23.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -86.5 115.69 24.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.13 179.72 1.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.03 176.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -62.16 -46.4 89.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.9 m -59.93 135.1 57.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.414 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . . . -108.41 113.63 26.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -83.69 177.73 52.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.36 -31.84 70.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -80.41 -30.44 37.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -28.1 65.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 10.6 mmt -58.22 146.77 32.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 3.0 pt -130.37 171.79 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -119.93 105.34 10.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 19.7 mt -94.58 118.1 39.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 27.5 mtt-85 -108.5 152.73 24.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 46.1 t -129.55 149.14 51.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 15.4 p -115.95 32.16 6.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.89 -175.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -103.82 100.43 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.5 142.29 29.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.813 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -172.87 107.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 62.1 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.913 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.839 0.352 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.5 tt -115.17 129.59 71.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.31 117.49 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.37 -89.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.441 HG13 ' CD1' ' A' ' 14' ' ' TRP . 43.7 pt -134.65 31.1 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 111.095 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.441 ' CD1' HG13 ' A' ' 13' ' ' ILE . 59.1 m95 -134.42 130.61 37.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 51.6 p-90 -127.54 141.39 51.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.14 134.32 50.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.609 HG21 HG12 ' A' ' 23' ' ' ILE . 17.2 m -72.91 163.77 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.1 m -106.33 -38.11 6.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -150.42 177.67 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.779 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 46.3 t80 -58.33 -44.0 88.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.047 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.26 -24.82 38.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.654 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.79 -30.75 22.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 20' ' ' PHE . 20.1 mt -72.05 90.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.053 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -150.43 144.46 25.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.11 -162.74 44.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.426 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -60.6 130.59 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.32 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 pt -147.81 164.5 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.65 142.44 50.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.1 mt -114.27 146.83 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -127.82 116.02 19.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.545 ' HA ' HG22 ' A' ' 145' ' ' ILE . 25.0 mtt -86.3 -60.11 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.804 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.71 179.98 5.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -80.61 86.52 5.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.07 -30.48 8.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.417 ' HB1' ' HG ' ' A' ' 47' ' ' LEU . . . -83.82 143.48 29.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.834 0.349 . . . . 0.0 111.111 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -119.46 159.97 23.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.572 HG23 HD13 ' A' ' 132' ' ' ILE . 3.2 mt -69.78 115.22 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -95.65 160.52 14.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -118.74 152.31 36.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.071 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.0 mt -119.96 144.78 47.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.95 -34.41 76.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -59.2 -26.5 64.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.989 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.68 30.34 2.03 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.568 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.6 mt -129.26 176.52 7.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.771 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.912 ' HB3' HD12 ' A' ' 132' ' ' ILE . 19.6 m-85 -140.13 132.88 29.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 t -138.37 159.83 41.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.417 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 12.5 tp -70.82 115.74 10.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.76 157.38 52.53 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.406 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.45 143.59 85.56 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.627 0.251 . . . . 0.0 111.056 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.78 166.11 30.88 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.451 2.1 . . . . 0.0 112.326 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -90.94 145.87 24.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.86 -32.6 21.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.19 161.05 21.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -84.39 -41.84 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.57 98.14 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -156.78 151.2 25.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -96.61 158.57 21.51 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.502 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.401 ' HD2' ' NE1' ' A' ' 14' ' ' TRP . 57.2 Cg_endo -71.42 171.55 15.96 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.583 2.188 . . . . 0.0 112.297 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.8 p -80.51 164.56 51.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.519 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 51.5 Cg_exo -53.18 -48.2 23.36 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.499 2.133 . . . . 0.0 112.63 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 60.5 Cg_endo -72.87 -26.3 15.75 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.173 1.915 . . . . 0.0 112.33 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.4 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 9.5 mt-10 -70.57 -31.62 68.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -73.63 156.55 37.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.4 ' CE2' ' O ' ' A' ' 62' ' ' GLU . 91.4 m-85 -136.91 147.06 46.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.68 119.62 38.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.36 144.29 25.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.01 120.27 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.409 ' HE3' ' CE2' ' A' ' 20' ' ' PHE . 5.6 mtpt -69.26 146.53 52.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.804 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.6 mt -133.39 -73.36 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.94 159.03 0.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.09 34.13 21.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.991 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.436 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 3.1 t 60.5 43.64 12.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 -120.84 129.92 53.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.779 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 15.8 pt -118.91 148.62 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.19 126.97 51.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.448 ' HB3' HD12 ' A' ' 84' ' ' LEU . 12.4 mt -97.97 134.46 41.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -119.0 116.84 27.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.3 p -61.45 152.24 30.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.77 -30.26 68.94 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -62.49 -30.8 71.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.1 35.21 1.14 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.517 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -135.67 171.39 14.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.785 0.326 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -103.06 136.53 42.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.448 HD12 ' HB3' ' A' ' 76' ' ' LEU . 96.0 mt -71.44 98.61 1.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -116.5 129.18 8.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 pt -72.66 132.88 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 111.145 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -76.74 175.63 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m -63.82 -38.83 92.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.61 -31.11 70.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 111.73 28.15 3.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.527 HD12 ' HB3' ' A' ' 133' ' ' GLU . 4.6 tp -105.4 127.81 53.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.555 ' CG2' HG22 ' A' ' 132' ' ' ILE . 21.6 t -64.32 108.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.068 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.8 m -127.51 164.75 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.147 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.32 96.55 0.2 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.545 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -150.27 63.73 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.798 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.26 135.8 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.84 30.55 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.34 166.77 22.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.2 mt -104.41 79.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -89.81 178.07 43.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -51.19 -49.16 17.99 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.598 2.199 . . . . 0.0 112.321 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 42.3 mtt85 -62.02 -30.91 71.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 26.9 mp0 -74.4 -30.64 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -63.44 144.27 57.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.405 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 94.8 m95 -131.67 166.62 21.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.68 93.82 4.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -68.62 154.11 72.13 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.436 2.091 . . . . 0.0 112.269 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.3 t -128.78 158.79 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.228 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.525 ' HZ ' HD11 ' A' ' 23' ' ' ILE . 78.2 m-85 -149.42 108.7 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -136.01 119.35 16.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 59.14 28.85 18.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.93 -28.38 12.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.518 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -62.41 179.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -174.39 148.43 1.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.421 ' HB3' ' CE1' ' A' ' 123' ' ' PHE . . . -157.81 135.58 10.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.6 tp -75.77 105.73 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.57 132.25 35.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.405 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -77.52 172.05 13.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.5 t -70.16 -9.87 57.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.275 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.405 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 47.4 p30 -94.08 22.09 6.17 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.242 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 m 56.02 48.09 18.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.891 0.376 . . . . 0.0 111.043 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.3 m -155.6 140.04 16.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.617 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 32.7 m-85 -69.73 -179.91 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 17.9 pt -135.72 148.65 28.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.232 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -162.23 173.78 13.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 49.5 t -122.2 156.83 32.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -100.84 179.86 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.71 -33.18 73.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.85 -30.63 68.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 112.2 30.98 2.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.465 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -107.1 104.25 13.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.912 HD12 ' HB3' ' A' ' 45' ' ' PHE . 17.4 mt -84.45 110.9 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.527 ' HB3' HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -135.11 168.14 19.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -85.46 128.33 34.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.64 173.79 7.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -60.46 173.35 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -59.87 -28.56 67.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 81.1 p -57.93 125.53 23.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.627 ' HB1' ' HE1' ' A' ' 144' ' ' MET . . . -96.63 102.49 14.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -75.27 176.5 49.88 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -68.08 -40.56 82.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.92 -28.22 60.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.26 -30.03 64.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.627 ' HE1' ' HB1' ' A' ' 139' ' ' ALA . 32.8 mmt -59.33 122.65 14.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.545 HG22 ' HA ' ' A' ' 31' ' ' MET . 25.4 pt -109.56 166.22 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -117.28 100.66 7.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 27.6 mt -77.94 126.77 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -123.82 139.41 54.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.5 t -113.89 152.66 30.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 10.3 p -130.45 32.58 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.857 0.361 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.8 tt -163.16 128.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.4 t -121.33 94.11 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.2 -80.62 0.72 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.432 HG13 ' CD1' ' A' ' 14' ' ' TRP . 13.8 pt -140.62 30.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 111.124 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.432 ' CD1' HG13 ' A' ' 13' ' ' ILE . 87.5 m95 -134.28 103.77 5.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -103.89 137.37 41.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 m -66.07 133.6 51.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.6 m -66.46 -179.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -141.23 -47.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -124.57 176.04 6.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.761 ' CE1' HG23 ' A' ' 74' ' ' ILE . 76.0 t80 -63.12 -30.62 71.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.06 -29.38 72.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.457 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.05 -31.85 73.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.472 HG21 HD13 ' A' ' 74' ' ' ILE . 14.0 mt -75.03 106.0 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.051 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.2 m -161.6 135.71 6.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.95 -141.04 27.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.8 m -72.04 138.85 48.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.644 HD13 ' HB2' ' A' ' 66' ' ' ALA . 23.4 pt -149.66 179.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.92 142.17 20.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mt -111.69 141.04 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -125.3 117.56 24.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.488 ' HE3' HD12 ' A' ' 124' ' ' ILE . 31.6 mtt -90.72 -49.76 6.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.65 174.76 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -78.39 82.01 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.14 -32.98 5.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.61 133.62 33.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 111.066 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -116.42 174.61 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.2 mt -79.45 114.15 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -97.61 157.94 15.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -118.4 148.0 42.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.8 mt -114.43 155.6 26.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -79.92 -31.65 40.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -59.5 -29.7 68.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.57 35.38 1.0 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.13 172.5 12.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.723 0.297 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.449 ' CZ ' ' CD2' ' A' ' 84' ' ' LEU . 12.1 m-85 -131.18 119.35 21.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 t -122.32 175.88 6.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.408 HD13 ' CB ' ' A' ' 126' ' ' CYS . 11.5 tp -87.75 111.75 21.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.49 159.08 30.71 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.486 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.41 141.85 88.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.692 0.282 . . . . 0.0 111.049 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.21 155.22 51.88 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.526 2.15 . . . . 0.0 112.331 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -85.31 163.8 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -95.91 -46.09 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.84 146.18 26.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -73.39 -36.12 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -87.09 65.44 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -145.92 127.39 15.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.31 166.08 49.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.53 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.23 163.32 34.77 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.575 2.183 . . . . 0.0 112.274 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.4 m -70.95 163.91 61.03 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.523 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 51.7 Cg_exo -54.32 -47.46 26.8 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.602 2.202 . . . . 0.0 112.679 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 70.8 Cg_endo -74.9 -24.48 13.02 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.248 1.965 . . . . 0.0 112.524 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -70.46 -30.81 67.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -75.58 130.13 38.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.872 ' CD1' HD11 ' A' ' 84' ' ' LEU . 89.6 m-85 -109.68 150.88 27.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.03 129.05 44.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.644 ' HB2' HD13 ' A' ' 27' ' ' ILE . . . -92.45 138.61 31.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.03 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.436 ' HB ' ' HB3' ' A' ' 75' ' ' ALA . 21.4 t -137.01 114.48 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.262 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.69 141.73 55.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.701 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.658 HD11 ' HB2' ' A' ' 75' ' ' ALA . 9.2 mt -125.73 -75.79 0.59 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.046 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.6 p 179.91 159.11 0.76 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 57.99 40.25 25.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.433 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 49.8 m 61.26 31.35 19.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 50.0 mmm-85 -108.17 142.11 38.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.761 HG23 ' CE1' ' A' ' 20' ' ' PHE . 12.2 pt -133.7 146.97 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.658 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -105.06 130.42 53.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.698 ' HB3' HD12 ' A' ' 84' ' ' LEU . 47.9 mt -93.11 157.81 16.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -141.29 145.41 35.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.7 p -83.04 153.74 24.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.93 -28.54 66.22 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.529 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -73.75 -50.01 22.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 141.6 53.26 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.562 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -147.85 135.89 21.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -73.28 126.86 31.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.872 HD11 ' CD1' ' A' ' 64' ' ' PHE . 90.5 mt -63.41 109.97 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -120.27 152.28 17.02 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.544 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.425 HG21 ' HB1' ' A' ' 118' ' ' ALA . 35.8 pt -94.46 153.4 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 111.114 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -93.34 179.24 5.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.5 m -75.81 -37.99 58.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.94 -41.39 74.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 131.11 43.49 0.18 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.642 HD12 ' HB3' ' A' ' 133' ' ' GLU . 4.4 tp -126.39 130.39 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.4 t -78.51 119.51 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.9 m -132.34 179.59 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.42 84.78 0.17 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.447 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -136.52 31.76 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.33 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 m -142.08 130.95 22.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.71 32.09 3.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -127.35 150.97 49.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.9 mt -90.54 89.46 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.92 167.24 15.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.436 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -51.95 -52.47 8.9 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.533 2.155 . . . . 0.0 112.348 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -59.65 -30.89 69.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.96 -29.29 61.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.471 ' OE1' HD13 ' A' ' 69' ' ' LEU . 1.6 mt-30 -64.73 165.92 9.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -143.4 151.35 40.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -122.1 89.1 48.5 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.533 ' HG3' HD11 ' A' ' 74' ' ' ILE . 52.6 Cg_exo -54.58 152.97 25.17 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.61 2.207 . . . . 0.0 112.201 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -136.44 144.95 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.447 ' HZ ' HD11 ' A' ' 23' ' ' ILE . 38.0 m-85 -145.21 129.72 17.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -148.92 116.48 6.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.52 33.9 20.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.45 -39.26 2.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -61.82 179.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.437 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 1.4 ptt? -169.5 155.25 6.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.39 123.18 5.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.1 tp -70.86 116.4 11.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.4 tp -99.72 118.2 35.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.432 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -61.14 167.03 3.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 t -68.97 -12.2 61.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.334 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.432 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 35.8 p30 -95.44 25.47 4.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.658 0.266 . . . . 0.0 111.172 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.21 41.23 29.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.994 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 40.0 m -142.1 141.05 32.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.967 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -78.67 132.22 36.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.488 HD12 ' HE3' ' A' ' 31' ' ' MET . 1.0 OUTLIER -72.54 158.75 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 59.6 ttt-85 -170.14 163.55 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.408 ' CB ' HD13 ' A' ' 47' ' ' LEU . 17.3 p -99.34 179.99 4.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -128.35 179.88 5.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -83.34 -43.78 15.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.24 -32.93 69.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 121.26 57.46 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.439 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -139.32 101.65 4.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.807 0.337 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.6 mm -69.66 108.22 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.642 ' HB3' HD12 ' A' ' 91' ' ' LEU . 3.7 pt-20 -134.01 169.53 16.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -90.75 146.46 23.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.47 179.95 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.28 162.83 4.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -59.9 -30.95 69.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.65 119.06 6.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -84.06 158.94 21.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.096 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -156.9 -179.91 32.21 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.54 -44.38 90.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.85 -36.94 70.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -64.14 -29.18 70.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.3 mmt -58.28 158.24 7.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 9.3 pt -141.19 173.4 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.65 115.67 13.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 27.6 mt -100.32 147.09 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -138.28 149.92 46.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 46.1 t -119.44 158.72 25.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 14.0 p -121.79 35.47 4.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.788 0.328 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 tt -122.36 134.58 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.71 89.14 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.59 -83.54 0.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.474 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.1 pp -136.67 30.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.445 ' NE1' HD11 ' A' ' 13' ' ' ILE . 88.6 m95 -135.47 112.3 10.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.3 p-90 -111.73 142.95 43.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.73 158.08 35.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 147' ' ' ILE . 9.9 m -98.37 169.42 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.149 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.1 -44.99 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -123.56 178.51 5.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 72' ' ' SER . 25.7 t80 -66.68 -32.5 73.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.67 -28.54 68.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.469 ' HB3' HG12 ' A' ' 17' ' ' VAL . 3.2 mm-40 -71.37 -30.36 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 111.008 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.602 HG21 HD13 ' A' ' 74' ' ' ILE . 32.8 mt -70.07 91.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.8 p -156.66 138.19 14.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.57 -134.11 12.4 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.538 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.1 m -92.5 129.0 38.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.504 HD11 HD21 ' A' ' 76' ' ' LEU . 8.9 pt -134.71 169.2 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.43 117.06 11.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.612 ' CG2' HD12 ' A' ' 145' ' ' ILE . 1.9 mp -90.53 139.11 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -123.29 120.34 32.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.41 ' HE2' ' HA ' ' A' ' 125' ' ' ARG . 7.4 mtp -94.17 -51.06 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.446 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 2.0 t0 -100.0 171.3 7.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -76.67 80.97 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.57 -27.57 6.84 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.56 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . . . -85.96 157.24 20.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 111.153 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -135.03 169.13 17.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.556 HD12 ' HB ' ' A' ' 29' ' ' ILE . 26.0 mt -77.69 114.69 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -108.9 143.43 38.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.608 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -107.63 156.86 18.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.9 mt -114.66 145.41 42.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.15 -33.2 70.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -62.81 -30.26 71.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 129.9 -24.38 4.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.612 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.71 166.61 23.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.754 0.311 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.842 ' HB3' HD12 ' A' ' 132' ' ' ILE . 11.5 m-85 -128.73 123.58 33.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.0 t -118.38 166.8 12.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.663 HD13 ' SG ' ' A' ' 126' ' ' CYS . 13.4 tp -84.49 112.68 20.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.41 143.89 48.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.84 148.92 74.85 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.668 0.271 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.72 138.21 34.27 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.577 2.184 . . . . 0.0 112.275 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -60.51 163.42 5.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.14 -56.15 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -74.28 163.78 27.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.2 p -83.5 -31.11 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.52 86.44 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -153.52 129.7 10.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.81 164.99 45.3 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.438 ' HD2' ' CE2' ' A' ' 14' ' ' TRP . 53.2 Cg_endo -69.8 150.69 68.3 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.54 2.16 . . . . 0.0 112.329 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.46 162.94 22.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.551 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 59.8 Cg_exo -50.3 -50.61 13.0 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.582 2.188 . . . . 0.0 112.707 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 37.8 Cg_endo -66.41 -25.55 48.66 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.133 1.889 . . . . 0.0 112.19 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 76.7 mt-10 -78.98 -27.73 43.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -71.28 113.46 8.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' A' ' 62' ' ' GLU . 94.8 m-85 -97.53 152.78 18.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.9 m -116.26 119.36 35.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.57 145.41 24.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.92 110.92 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -61.99 153.24 30.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mt -136.46 -65.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.02 151.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.59 34.2 20.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 3.5 m 60.98 42.33 12.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 -117.33 109.0 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.602 HD13 HG21 ' A' ' 23' ' ' ILE . 4.8 pt -98.66 157.53 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.94 112.58 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.504 HD21 HD11 ' A' ' 27' ' ' ILE . 14.9 mt -76.87 143.44 39.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -131.31 119.69 22.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.3 p -59.61 149.86 29.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.33 -27.89 61.12 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -60.49 -38.69 85.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.2 42.57 0.29 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -145.93 164.56 31.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.899 0.381 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -96.8 140.15 31.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.404 HD11 ' CE2' ' A' ' 64' ' ' PHE . 75.7 mt -74.31 106.98 6.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -117.6 126.96 7.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.522 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.4 pt -72.05 133.56 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 111.096 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -78.37 172.79 13.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t -60.33 -31.58 70.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.06 -35.95 48.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.831 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 118.55 36.31 0.92 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 133' ' ' GLU . 3.0 tp -108.27 138.19 44.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.02 103.8 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.05 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.3 m -122.61 176.07 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -155.62 93.05 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.573 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -141.87 35.8 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.807 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.08 160.22 32.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -121.39 31.95 6.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.47 -179.86 7.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -110.83 97.91 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.79 174.39 21.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.545 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.54 -51.25 11.56 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.596 2.198 . . . . 0.0 112.325 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -59.77 -28.9 67.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.41 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 3.0 mp0 -77.28 -25.7 51.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.15 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -57.89 146.85 30.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.114 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.41 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 96.1 m95 -131.09 -179.95 5.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.786 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -161.8 90.16 1.45 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.7 170.21 17.02 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.537 2.158 . . . . 0.0 112.241 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.4 t -146.93 156.98 10.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.466 ' CZ ' HD11 ' A' ' 23' ' ' ILE . 83.7 m-85 -149.69 114.37 5.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -145.84 132.94 20.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 57.9 25.26 11.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.99 -29.67 9.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.559 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -67.79 179.3 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 110.976 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.429 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 5.3 ptp -167.21 128.89 1.61 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.31 128.84 30.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.7 tp -78.74 121.16 24.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 21.8 tp -101.94 121.62 42.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.72 170.23 12.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.2 t -73.09 -8.41 55.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.334 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -95.97 25.5 4.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.764 0.316 . . . . 0.0 111.167 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 m 55.51 30.5 15.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.156 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.1 m -140.29 127.35 20.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -60.53 -179.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.628 HD11 HD13 ' A' ' 145' ' ' ILE . 2.2 pp -116.57 156.8 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.41 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 0.1 OUTLIER -176.3 153.95 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.663 ' SG ' HD13 ' A' ' 47' ' ' LEU . 18.4 p -97.49 174.29 6.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -128.84 179.76 5.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -81.78 -36.76 28.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.89 69.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 115.42 31.52 1.98 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.563 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -120.74 116.02 24.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.842 HD12 ' HB3' ' A' ' 45' ' ' PHE . 30.8 mt -95.36 96.58 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.43 ' HB3' HD12 ' A' ' 91' ' ' LEU . 6.9 pt-20 -117.18 167.39 11.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -81.86 130.38 35.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -84.9 171.02 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -63.28 179.28 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -34.14 73.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.54 107.54 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -90.63 132.27 35.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -111.88 -179.99 19.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.535 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.81 -32.25 73.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.83 -31.53 63.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -65.19 -29.49 70.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.008 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.9 mmt -58.35 137.19 57.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.628 HD13 HD11 ' A' ' 124' ' ' ILE . 13.1 pt -126.85 168.97 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -121.79 103.16 8.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.47 ' O ' HG22 ' A' ' 17' ' ' VAL . 23.3 mt -87.83 117.81 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -104.48 169.79 8.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 31.2 t -140.37 152.89 46.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' CYS . . . . . 0.404 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 26.5 p -136.08 31.36 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.841 0.353 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 tt -151.69 128.07 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.9 99.59 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.79 -83.98 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.418 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.423 HG13 ' CD1' ' A' ' 14' ' ' TRP . 19.8 pt -143.35 30.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 111.136 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.423 ' CD1' HG13 ' A' ' 13' ' ' ILE . 61.2 m95 -137.08 130.68 31.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -130.56 134.02 46.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 84.8 m -62.36 123.54 18.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.3 m -65.68 179.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -127.01 -44.87 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -124.63 -178.76 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.644 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 66.7 t80 -72.2 -35.64 68.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.12 -27.34 59.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.588 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.5 -30.14 61.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.498 HG23 HD13 ' A' ' 27' ' ' ILE . 32.1 mt -68.73 97.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 83.8 p -156.91 142.2 17.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.48 -128.6 8.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 m -93.96 136.58 34.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.544 ' CD1' ' HB2' ' A' ' 66' ' ' ALA . 33.7 pt -149.34 141.31 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.46 131.83 54.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.567 ' HB ' HD12 ' A' ' 37' ' ' ILE . 20.1 mt -105.65 127.75 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -108.79 124.85 51.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.457 ' HE3' HD12 ' A' ' 124' ' ' ILE . 12.7 mtp -99.64 -48.93 4.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.91 179.97 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.813 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 85.41 4.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.795 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.23 -29.72 10.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.424 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.81 161.13 27.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.997 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -140.41 154.84 46.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.567 HD12 ' HB ' ' A' ' 29' ' ' ILE . 4.9 mt -62.37 105.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -88.68 152.14 22.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -112.69 126.05 54.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 40' ' ' LEU . 22.9 mt -86.17 174.83 8.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -94.94 -34.9 12.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -60.18 -31.45 70.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.99 40.25 0.42 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.528 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mt -140.91 179.96 6.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -140.43 119.49 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 t -117.58 161.45 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.549 HD13 ' SG ' ' A' ' 126' ' ' CYS . 14.7 tp -60.19 111.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.93 145.38 43.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.77 134.46 95.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.567 0.223 . . . . 0.0 111.054 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.8 150.5 78.86 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.461 2.107 . . . . 0.0 112.28 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -95.69 132.26 41.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -62.36 -51.21 68.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -72.54 151.77 42.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.6 t -81.1 -30.45 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -95.1 44.41 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -107.88 111.54 23.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.02 161.0 47.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.14 168.99 20.45 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.601 2.201 . . . . 0.0 112.326 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.416 ' HB3' ' HD2' ' A' ' 61' ' ' PRO . 55.2 m -99.91 163.17 18.92 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.685 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.544 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 78.2 Cg_exo -48.93 -51.04 11.26 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.455 2.103 . . . . 0.0 112.846 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 37.2 Cg_endo -65.57 -25.49 54.94 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.096 1.864 . . . . 0.0 112.223 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -85.51 -31.29 22.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -68.06 155.94 38.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.415 ' CE1' HD11 ' A' ' 84' ' ' LEU . 98.3 m-85 -134.62 163.01 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 m -126.8 134.17 50.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.544 ' HB2' ' CD1' ' A' ' 27' ' ' ILE . . . -94.44 165.19 12.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -151.98 101.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -60.92 119.79 8.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.812 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.446 HD11 ' HB2' ' A' ' 75' ' ' ALA . 91.5 mt -112.42 -73.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.99 157.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 59.31 33.6 22.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.428 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 14.7 m 60.58 39.04 18.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.72 114.57 22.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.644 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 9.6 pt -105.3 149.75 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.16 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.446 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -102.21 100.82 11.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 105' ' ' TRP . 30.7 mt -61.02 160.26 10.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -156.65 118.76 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 64.9 p -67.94 154.99 40.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.61 -30.82 69.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -59.92 -30.61 69.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.58 38.18 1.11 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.45 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -130.34 161.73 30.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -96.6 124.22 40.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.473 ' HA ' HD23 ' A' ' 84' ' ' LEU . 12.2 mt -66.04 120.02 12.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.844 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -135.52 157.6 23.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.403 HG23 ' CH2' ' A' ' 105' ' ' TRP . 1.4 pt -111.37 141.71 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -72.5 171.07 13.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.805 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.1 -33.99 72.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.88 -33.27 65.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 123.06 45.67 0.29 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.514 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 tp -125.35 120.32 30.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.4 HG22 HG22 ' A' ' 86' ' ' ILE . 19.6 t -73.03 109.38 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.7 m -134.54 139.97 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.063 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -110.65 90.17 0.57 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -158.44 45.09 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.3 t -112.2 -37.57 4.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 60.97 33.92 19.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -160.45 165.2 31.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.073 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.3 mt -95.86 84.32 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.27 166.71 24.53 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.566 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.46 -36.63 70.66 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.557 2.171 . . . . 0.0 112.314 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -74.31 -31.07 62.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.411 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 8.5 mp0 -65.38 -30.07 70.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.99 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -64.97 141.08 58.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.541 ' CD1' HD12 ' A' ' 76' ' ' LEU . 86.7 m95 -124.75 143.76 50.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -114.87 91.79 27.64 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.008 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.53 125.26 12.55 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.47 2.114 . . . . 0.0 112.215 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 109' ' ' PHE . 19.1 t -97.13 159.79 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.485 ' N ' HG12 ' A' ' 108' ' ' VAL . 61.7 m-85 -146.53 125.03 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.81 117.29 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.97 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 57.67 34.42 24.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.035 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.06 -38.94 2.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -58.36 176.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 6.0 ptp -160.29 152.76 20.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -151.57 128.28 10.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.501 HD21 HD11 ' A' ' 76' ' ' LEU . 17.3 tp -77.56 112.97 14.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.0 tp -98.48 132.2 44.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.604 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -77.07 168.05 20.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 44.2 t -66.76 -13.8 61.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.224 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.604 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 34.5 p30 -94.44 22.53 6.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.246 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.3 m 55.12 33.77 21.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.847 0.356 . . . . 0.0 111.051 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 56.7 m -130.95 130.99 44.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.466 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 22.4 m-85 -65.65 -179.98 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.457 HD12 ' HE3' ' A' ' 31' ' ' MET . 14.9 pt -126.71 162.57 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.133 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -176.47 143.91 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.549 ' SG ' HD13 ' A' ' 47' ' ' LEU . 26.4 p -85.83 147.76 26.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -94.14 171.81 8.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -31.28 72.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.33 -34.79 21.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.065 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 135.24 -23.88 3.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.644 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -57.01 109.01 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.789 0.328 . . . . 0.0 110.984 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.7 mt -88.38 119.67 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -128.79 175.11 8.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -101.29 115.74 31.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.43 167.43 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -59.49 178.34 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -59.05 -24.92 63.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 12.1 p -55.03 107.18 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.466 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -87.11 112.7 22.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -94.93 178.44 36.14 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.558 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.63 -37.68 88.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.34 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -73.55 -31.49 63.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.19 -31.05 69.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 29.8 mmt -59.68 116.83 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 4.3 pt -110.07 169.86 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -130.39 94.32 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 19.6 mt -75.37 118.35 21.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.135 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -108.64 154.75 21.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.522 ' HB2' HG22 ' A' ' 27' ' ' ILE . 10.7 t -132.44 134.32 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' CYS . . . . . 0.402 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 26.7 p -99.62 36.67 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.825 0.345 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 tt -120.93 130.09 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.617 HG13 ' HA ' ' A' ' 55' ' ' ASP . 22.0 t -120.69 88.86 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.06 -81.1 0.25 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.416 HG13 ' CD1' ' A' ' 14' ' ' TRP . 27.9 pt -133.01 31.11 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.354 . . . . 0.0 111.102 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.416 ' CD1' HG13 ' A' ' 13' ' ' ILE . 68.8 m95 -135.8 116.37 13.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.468 ' HZ2' ' HB3' ' A' ' 151' ' ' ALA . 51.1 p-90 -114.85 139.24 49.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.4 m -64.19 128.86 37.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.4 m -63.55 164.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.39 -31.99 7.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -162.04 -178.74 6.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.786 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 22.0 t80 -57.84 -40.24 79.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.09 -26.04 41.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.663 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -84.65 -31.04 24.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.527 HG21 HD13 ' A' ' 74' ' ' ILE . 36.5 mt -74.26 105.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.048 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.1 t -172.75 93.15 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.61 -158.83 22.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.3 m -66.37 117.2 8.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.722 0.296 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.618 HD11 HD21 ' A' ' 76' ' ' LEU . 2.0 pp -139.48 163.51 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.04 162.61 24.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.436 HG23 HD12 ' A' ' 145' ' ' ILE . 2.8 mp -132.48 128.13 57.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -108.84 111.85 23.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.511 ' CE ' HD12 ' A' ' 124' ' ' ILE . 6.8 mtt -86.52 -46.26 10.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.63 178.89 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -88.41 80.15 7.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.54 -27.39 6.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.488 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.35 167.5 11.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.845 0.355 . . . . 0.0 111.074 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -141.43 169.95 16.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.7 mt -75.29 118.23 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -106.66 151.24 25.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.38 167.26 10.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.0 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.4 mt -135.48 145.09 46.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -65.15 -31.33 72.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -60.01 -31.77 70.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.08 36.39 0.95 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.521 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.5 mt -140.69 158.78 43.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.424 ' CE2' HD21 ' A' ' 84' ' ' LEU . 42.7 m-85 -119.59 125.67 49.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.4 t -124.07 167.09 14.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.2 tp -79.7 110.11 14.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.66 173.35 4.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.15 140.52 49.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.656 0.265 . . . . 0.0 111.053 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.61 126.6 11.62 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.494 2.129 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -61.82 158.74 15.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.95 -64.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -76.08 157.97 32.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -76.57 -54.51 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.617 ' HA ' HG13 ' A' ' 11' ' ' VAL . 11.5 t70 -74.37 77.06 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -140.95 134.09 29.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.25 148.91 28.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.42 158.9 55.69 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.661 2.241 . . . . 0.0 112.418 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.405 ' HB3' ' HD2' ' A' ' 61' ' ' PRO . 0.3 OUTLIER -72.57 159.46 85.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.54 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 58.0 Cg_exo -49.96 -52.07 9.62 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.456 2.104 . . . . 0.0 112.776 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 35.9 Cg_endo -64.66 -24.94 62.0 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.18 1.92 . . . . 0.0 112.282 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -77.1 -31.72 56.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -66.3 137.27 56.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.45 ' CE1' HD11 ' A' ' 84' ' ' LEU . 77.7 m-85 -118.27 161.96 19.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.23 124.35 48.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.06 130.91 53.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.2 t -127.74 136.75 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -72.11 154.75 40.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.593 HD11 ' HB2' ' A' ' 75' ' ' ALA . 75.4 mt -138.06 -75.2 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.4 p 179.93 150.51 0.37 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.34 38.34 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.029 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.433 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER 62.01 35.35 16.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -112.67 120.76 42.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.786 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 16.4 pt -112.36 150.13 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.593 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -106.93 128.25 54.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.031 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.618 HD21 HD11 ' A' ' 27' ' ' ILE . 15.0 mt -94.82 156.71 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -147.84 134.14 19.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.789 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.3 p -70.87 160.99 31.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.987 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.63 -28.59 72.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -64.78 -42.64 94.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.06 42.82 0.21 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.544 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -137.86 137.61 38.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -78.49 129.52 34.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 76' ' ' LEU . 85.1 mt -64.64 106.37 1.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -115.08 139.62 15.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.585 HD13 ' OD1' ' A' ' 120' ' ' ASN . 1.6 pt -85.51 156.82 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 111.125 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -108.0 166.63 10.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 p -62.37 -38.95 91.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.02 -31.53 72.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 112.39 28.54 3.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.549 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tp -106.39 138.18 43.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -83.23 110.45 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.4 m -128.49 163.15 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.45 80.25 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -132.56 35.81 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -139.28 131.84 28.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -98.96 31.48 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -121.06 -175.52 3.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.2 mt -131.74 84.09 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.172 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.95 -160.29 21.7 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 -42.22 3.68 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.577 2.185 . . . . 0.0 112.378 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.72 -32.82 74.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.402 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 12.3 mp0 -73.74 -27.73 61.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.974 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -62.98 167.25 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.016 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.412 ' HB3' HD11 ' A' ' 116' ' ' LEU . 86.3 m95 -150.92 168.54 24.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -144.4 93.76 5.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.22 147.6 66.7 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.521 2.147 . . . . 0.0 112.232 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.0 t -132.72 150.19 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.17 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -127.4 139.19 53.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.773 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -149.96 104.66 3.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 58.35 42.9 20.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.37 -44.32 2.46 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.457 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -58.76 172.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.82 146.66 23.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -143.04 124.42 14.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 105' ' ' TRP . 40.8 tp -76.45 105.19 7.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.0 tp -88.05 129.7 35.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.508 ' HB1' HG21 ' A' ' 86' ' ' ILE . . . -72.82 163.85 27.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.4 t -66.26 -15.42 63.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.27 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.585 ' OD1' HD13 ' A' ' 86' ' ' ILE . 9.5 p-10 -95.95 26.3 4.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.704 0.288 . . . . 0.0 111.174 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.1 p 55.83 44.76 25.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 111.05 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.689 ' HB3' ' HB1' ' A' ' 134' ' ' ALA . 91.1 m -137.83 133.28 33.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -81.73 122.74 28.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.511 HD12 ' CE ' ' A' ' 31' ' ' MET . 1.2 pt -61.91 159.79 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -171.27 174.29 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.0 p -115.14 165.95 12.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -126.03 152.98 45.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.04 -31.36 69.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.59 -42.77 61.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.084 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 127.67 44.65 0.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -130.19 118.43 21.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 29.9 mm -92.05 99.29 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -123.32 173.75 7.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.689 ' HB1' ' HB3' ' A' ' 122' ' ' CYS . . . -96.95 130.83 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.44 -179.9 5.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.787 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.23 172.55 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -60.66 -31.86 71.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 14.3 p -59.82 115.45 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.701 ' HB1' ' CE ' ' A' ' 144' ' ' MET . . . -94.75 111.62 23.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -90.43 174.6 40.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -60.14 -33.07 71.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -76.56 -37.11 57.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -61.61 -29.5 70.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.701 ' CE ' ' HB1' ' A' ' 139' ' ' ALA . 37.6 mmt -58.53 132.66 54.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.436 HD12 HG23 ' A' ' 29' ' ' ILE . 9.0 pt -119.28 179.98 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -136.57 101.88 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 20.7 mt -83.84 134.75 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.176 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 31.1 mtt-85 -130.49 133.14 46.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.485 ' HA ' HG22 ' A' ' 27' ' ' ILE . 38.6 t -98.3 165.03 12.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 26.3 p -121.74 31.63 6.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.468 ' HB3' ' HZ2' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 t0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.781 0.324 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 tt -113.17 129.31 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.2 101.12 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.8 -79.92 0.25 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.404 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.1 pp -143.2 30.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 111.082 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.404 ' CD1' HG13 ' A' ' 13' ' ' ILE . 34.3 m95 -135.07 136.92 42.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -117.73 117.58 29.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.3 m -60.02 134.48 57.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.622 HG12 ' HB3' ' A' ' 22' ' ' GLU . 13.0 m -83.51 169.02 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.8 t -126.89 -45.22 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -112.1 176.14 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.457 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 79.3 t80 -71.83 -31.74 66.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.67 -28.05 62.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.556 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.622 ' HB3' HG12 ' A' ' 17' ' ' VAL . 61.0 mm-40 -70.96 -28.93 64.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.723 0.297 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.806 HG21 HG21 ' A' ' 74' ' ' ILE . 36.5 mm -60.3 103.32 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 p -171.69 140.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.53 -163.51 48.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.519 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.0 m -69.83 130.15 41.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.753 0.311 . . . . 0.0 110.81 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.545 HG12 ' HB2' ' A' ' 66' ' ' ALA . 2.6 pp -144.68 153.18 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.87 147.0 40.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.043 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.441 ' CG2' HD12 ' A' ' 145' ' ' ILE . 2.0 mp -119.9 112.16 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.06 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 27.7 tt0 -93.89 118.83 31.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.767 ' HE2' HD12 ' A' ' 124' ' ' ILE . 12.5 mtt -84.51 -63.43 1.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.94 175.43 6.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -74.05 81.68 1.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.05 -27.85 7.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.467 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.72 ' HB1' ' HG ' ' A' ' 47' ' ' LEU . . . -90.06 140.98 29.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.731 0.301 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.41 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 43.7 m-85 -126.8 159.59 33.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.809 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.414 HG23 HG13 ' A' ' 132' ' ' ILE . 11.8 mt -70.47 107.56 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -90.87 143.81 26.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.51 145.19 27.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.7 mt -120.86 136.05 55.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.36 -29.52 69.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -57.45 -27.39 62.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.056 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.25 30.79 2.0 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 mt -137.89 -179.94 6.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.578 ' CE2' HD21 ' A' ' 84' ' ' LEU . 29.0 m-85 -141.75 129.73 21.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.9 t -135.47 161.62 34.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.72 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 7.6 tp -72.11 110.83 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.038 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.82 162.24 16.58 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.458 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.27 143.2 98.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.643 0.258 . . . . 0.0 111.132 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.44 146.5 44.79 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.59 2.193 . . . . 0.0 112.277 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -80.08 158.96 26.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -74.49 -48.47 27.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -98.69 133.88 42.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.78 -49.72 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -74.1 68.72 1.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -143.61 146.1 33.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.95 152.99 32.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.466 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.71 154.99 70.27 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.566 2.178 . . . . 0.0 112.372 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.55 159.66 66.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.578 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 76.8 Cg_exo -49.18 -49.56 15.07 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.641 2.227 . . . . 0.0 112.793 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 36.2 Cg_endo -65.49 -22.86 58.42 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.136 1.891 . . . . 0.0 112.277 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -83.63 -31.06 26.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.863 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -65.24 114.58 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.458 ' CE1' HD11 ' A' ' 84' ' ' LEU . 89.5 m-85 -101.36 173.08 6.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.74 136.98 52.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.545 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -105.11 144.95 31.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.003 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.578 ' HB ' ' HB3' ' A' ' 75' ' ' ALA . 21.4 t -141.8 110.33 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.439 ' HE3' ' CE2' ' A' ' 20' ' ' PHE . 7.9 mtpt -69.5 109.38 4.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' A' ' 75' ' ' ALA . 15.5 mt -90.94 -69.82 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.01 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.7 m 179.93 162.34 0.98 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 58.18 36.91 26.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.43 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 0.1 OUTLIER 60.75 32.74 20.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -114.8 130.08 56.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.806 HG21 HG21 ' A' ' 23' ' ' ILE . 16.9 pt -109.88 165.94 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.189 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.613 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -121.01 106.78 11.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.501 ' HB3' HD12 ' A' ' 84' ' ' LEU . 12.9 mt -74.12 141.65 45.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -139.77 129.12 24.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.15 160.77 30.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.65 -29.3 71.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.513 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -62.22 -30.43 71.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.706 0.289 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.03 31.21 2.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -125.83 149.05 48.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -88.98 133.85 34.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.578 HD21 ' CE2' ' A' ' 45' ' ' PHE . 20.1 mt -69.87 147.86 49.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.17 159.56 32.41 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.565 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.619 HG22 HG22 ' A' ' 92' ' ' VAL . 6.3 pt -105.97 144.41 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 111.155 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -80.87 178.65 8.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -66.02 -30.95 71.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.5 -39.19 47.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 141.04 -20.74 2.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.633 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.441 HD23 HG13 ' A' ' 93' ' ' VAL . 0.4 OUTLIER -57.13 143.8 37.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 0.0 111.029 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.619 HG22 HG22 ' A' ' 86' ' ' ILE . 28.0 t -98.44 111.4 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.057 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.441 HG13 HD23 ' A' ' 91' ' ' LEU . 30.2 m -120.4 176.82 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -145.51 86.96 0.17 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.07 54.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.924 0.393 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.2 t -116.96 -39.91 3.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 61.53 31.76 18.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -167.29 168.93 12.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.045 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.484 HD13 HD22 ' A' ' 69' ' ' LEU . 31.6 mt -89.28 131.95 35.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.77 164.92 28.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.82 -45.48 40.36 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.565 2.177 . . . . 0.0 112.316 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -73.35 -41.34 63.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.401 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 0.7 OUTLIER -59.83 -29.66 68.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.982 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -63.05 165.48 6.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.419 ' CE3' ' HA ' ' A' ' 118' ' ' ALA . 81.7 m95 -143.77 179.61 7.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -160.95 94.04 1.47 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.98 141.39 44.2 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.434 2.089 . . . . 0.0 112.243 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.94 127.45 74.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.426 ' CD2' ' HB3' ' A' ' 114' ' ' MET . 5.3 m-85 -116.1 125.97 53.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.05 131.44 14.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.35 45.3 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 62.91 28.13 71.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -125.05 -179.94 4.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.791 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.426 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 2.4 ptp -153.49 156.25 37.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -167.55 112.08 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.686 ' H ' HD11 ' A' ' 145' ' ' ILE . 12.7 tp -63.79 128.5 36.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.0 tp -110.73 125.09 53.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.419 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -68.78 168.53 13.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.5 t -68.56 -12.25 61.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.244 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -94.92 24.01 5.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.167 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 55.55 30.92 16.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.829 0.347 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.559 ' HB3' ' HB1' ' A' ' 134' ' ' ALA . 7.2 m -133.02 126.57 32.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.55 ' CD2' ' HB2' ' A' ' 139' ' ' ALA . 68.1 m-85 -60.59 176.73 0.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.767 HD12 ' HE2' ' A' ' 31' ' ' MET . 12.3 pt -102.87 156.78 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -163.09 155.84 18.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.622 ' CB ' HD13 ' A' ' 47' ' ' LEU . 7.2 p -110.21 126.54 54.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -75.39 165.13 25.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.45 -31.44 53.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.42 -39.09 65.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.032 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 129.9 55.14 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -149.13 117.25 6.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.414 HG13 HG23 ' A' ' 37' ' ' ILE . 28.8 mm -81.17 104.15 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.147 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.72 175.16 5.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.559 ' HB1' ' HB3' ' A' ' 122' ' ' CYS . . . -96.81 136.99 36.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.91 164.24 12.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.771 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -55.55 172.53 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.01 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -59.3 -46.93 87.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 61.8 p -60.52 99.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.55 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . . . -86.29 119.14 26.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.045 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -71.84 176.76 39.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -64.2 -35.79 81.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -83.44 -27.06 29.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -28.07 54.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.019 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.5 mmt -58.01 154.28 12.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.718 HD13 HD11 ' A' ' 124' ' ' ILE . 22.1 pt -135.26 177.5 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -131.82 114.55 14.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 3.3 mt -96.99 113.75 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.103 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -103.17 145.34 30.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.526 ' HA ' HG22 ' A' ' 27' ' ' ILE . 41.5 t -119.0 153.44 34.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 11.6 p -126.51 35.8 4.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.854 0.359 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 15' ' ' TRP . 5.0 tt -133.4 125.72 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.56 95.38 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.129 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.45 -69.85 0.52 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.531 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.412 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.8 pt -149.45 30.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.373 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.412 ' CD1' HG13 ' A' ' 13' ' ' ILE . 84.8 m95 -135.65 103.29 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.453 ' HB3' HD12 ' A' ' 10' ' ' ILE . 57.2 p-90 -100.4 129.85 46.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.5 m -68.64 133.08 47.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.969 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.724 HG21 HG12 ' A' ' 23' ' ' ILE . 10.4 m -72.4 152.35 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -111.2 -32.88 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -122.46 -178.4 3.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.616 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 28.7 t80 -80.54 -33.85 35.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.88 -28.07 72.17 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.539 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.45 ' HB3' HG12 ' A' ' 17' ' ' VAL . 4.3 mm-40 -71.47 -34.12 69.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.724 HG12 HG21 ' A' ' 17' ' ' VAL . 31.1 mt -71.07 106.41 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -168.44 130.6 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.45 -156.4 28.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.3 m -60.16 132.83 55.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.479 HD11 HD21 ' A' ' 76' ' ' LEU . 2.4 pt -144.73 174.51 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.41 111.32 6.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.49 HG22 ' N ' ' A' ' 30' ' ' GLU . 3.4 mt -88.63 158.39 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.037 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.49 ' N ' HG22 ' A' ' 29' ' ' ILE . 42.3 tt0 -143.18 103.38 4.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.768 ' HA ' HG22 ' A' ' 145' ' ' ILE . 15.7 mtt -69.21 -75.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.52 179.97 6.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -77.82 80.36 4.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.44 -28.17 7.64 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.574 ' HB1' ' HG ' ' A' ' 47' ' ' LEU . . . -77.8 145.38 36.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.785 0.326 . . . . 0.0 111.172 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -123.12 167.3 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.5 mt -84.29 112.12 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -93.63 150.72 20.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -107.59 146.4 31.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.526 HD12 ' HB2' ' A' ' 44' ' ' LEU . 89.9 mt -114.33 151.26 33.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -74.08 -34.44 64.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -59.65 -30.33 68.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.48 37.77 0.71 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.528 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.526 ' HB2' HD12 ' A' ' 40' ' ' LEU . 4.2 mt -140.82 179.99 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.492 ' CE2' HD21 ' A' ' 84' ' ' LEU . 42.6 m-85 -140.55 137.9 34.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.9 t -135.75 161.15 36.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.574 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 12.4 tp -68.56 124.91 24.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.56 155.36 39.42 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.01 114.07 16.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.547 0.213 . . . . 0.0 111.076 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.455 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 63.0 Cg_exo -51.37 177.04 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.438 2.092 . . . . 0.0 112.42 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -110.42 144.61 38.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -71.83 -54.32 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.49 147.37 49.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.67 -34.99 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -108.29 92.38 4.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.58 131.35 21.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.26 147.61 25.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.426 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.49 157.6 58.49 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.542 2.161 . . . . 0.0 112.398 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.41 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . 21.0 m -80.3 162.95 59.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.681 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.491 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 41.8 Cg_exo -55.27 -45.89 36.85 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.495 2.13 . . . . 0.0 112.639 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 60' ' ' PRO . 50.7 Cg_exo -52.22 -27.53 30.53 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.537 2.158 . . . . 0.0 112.331 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.422 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 8.3 mt-10 -91.03 -23.78 20.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -64.27 116.0 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 111.015 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.534 ' CE1' HD11 ' A' ' 84' ' ' LEU . 95.4 m-85 -104.44 -179.98 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.89 120.71 16.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.77 153.02 18.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.9 130.13 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -70.72 146.96 49.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.597 HD11 ' HB2' ' A' ' 75' ' ' ALA . 42.5 mt -134.56 -72.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.7 p 179.93 153.63 0.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.06 37.37 26.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.986 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m 61.21 31.11 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mmm-85 -106.99 112.82 25.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.616 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 4.4 pt -102.48 158.15 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.19 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.597 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -114.68 122.78 47.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.082 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.86 ' HB3' HD12 ' A' ' 84' ' ' LEU . 15.8 mt -88.22 154.34 20.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.0 129.26 23.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.414 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . 99.1 p -65.15 150.44 48.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.31 -26.65 56.77 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.608 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -68.96 -38.18 79.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 140.31 -15.97 2.96 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.708 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -81.24 173.5 12.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.806 0.336 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -109.81 143.02 40.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.86 HD12 ' HB3' ' A' ' 76' ' ' LEU . 35.2 mt -76.69 115.32 16.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.831 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.73 121.66 2.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.551 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.718 HD13 ' ND2' ' A' ' 120' ' ' ASN . 2.5 pp -70.28 121.54 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.34 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.64 174.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.8 -39.85 63.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.5 -29.49 67.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 115.8 30.81 2.07 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.55 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 133' ' ' GLU . 5.4 tp -116.77 129.65 56.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.33 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.421 HG22 HG22 ' A' ' 86' ' ' ILE . 22.2 t -75.73 115.86 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.3 m -135.6 -179.93 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.52 99.01 0.18 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.559 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -149.7 49.12 0.94 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 m -145.44 143.78 30.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.976 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.59 31.4 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -144.47 161.4 39.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.8 mt -94.99 96.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -93.63 163.45 26.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.449 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.5 -41.12 69.85 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.59 2.193 . . . . 0.0 112.26 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.0 mtt-85 -67.45 -29.69 69.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.001 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.47 -27.75 64.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -58.67 135.64 57.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.567 ' CD1' HD12 ' A' ' 76' ' ' LEU . 86.0 m95 -120.77 136.92 54.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -110.19 93.22 14.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.043 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.0 165.09 32.42 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.446 2.097 . . . . 0.0 112.201 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -150.1 151.72 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.226 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -129.96 119.17 22.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -138.22 115.82 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 59.33 29.81 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.08 -35.73 4.21 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.547 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -69.51 -179.99 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.745 0.307 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.2 ptp -163.79 156.79 18.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -151.43 120.5 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.066 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.627 ' HB2' HD11 ' A' ' 145' ' ' ILE . 0.6 OUTLIER -68.85 122.8 19.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.9 tp -105.9 123.24 47.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.47 165.24 6.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.039 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.6 t -69.68 -13.05 62.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.371 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.718 ' ND2' HD13 ' A' ' 86' ' ' ILE . 40.7 p30 -96.25 26.43 4.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.758 0.313 . . . . 0.0 111.186 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.5 m 55.97 47.2 20.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.03 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.512 ' HB2' ' HB1' ' A' ' 134' ' ' ALA . 74.7 m -147.63 123.44 10.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -66.17 152.63 44.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.716 HD11 HD13 ' A' ' 145' ' ' ILE . 39.6 pt -80.17 158.42 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -173.64 143.57 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.55 ' SG ' HD13 ' A' ' 47' ' ' LEU . 30.4 p -103.66 153.1 21.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -95.6 161.99 13.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -31.28 66.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.931 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.51 -49.97 13.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 144.08 62.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -154.63 107.16 2.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.6 mt -87.12 113.38 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.503 ' HB3' HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -128.2 167.39 16.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 122' ' ' CYS . . . -77.98 101.44 6.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.05 173.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.97 168.79 1.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -61.76 -31.31 71.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 20.5 p -67.63 115.97 7.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -95.87 108.94 21.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.57 176.99 44.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -60.41 -50.34 73.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -67.45 -29.28 68.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.041 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -30.22 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.9 mmt -59.99 116.14 3.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.768 HG22 ' HA ' ' A' ' 31' ' ' MET . 45.5 pt -98.93 172.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.186 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -129.88 108.39 10.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.479 ' O ' HG22 ' A' ' 17' ' ' VAL . 25.3 mt -84.61 121.74 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 10.4 mtt-85 -102.04 175.52 5.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 44.7 t -152.61 150.29 29.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' CYS . . . . . 0.41 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 28.5 p -126.32 34.95 4.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.842 0.353 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.513 HD12 ' HB3' ' A' ' 15' ' ' TRP . 10.1 tt -99.91 128.4 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.088 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -121.93 97.97 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.53 -90.18 0.94 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.388 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.426 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.2 pt -132.51 31.19 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 111.066 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.426 ' CD1' HG13 ' A' ' 13' ' ' ILE . 64.9 m95 -138.56 121.3 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.513 ' HB3' HD12 ' A' ' 10' ' ' ILE . 48.7 p-90 -117.66 139.06 51.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.458 HG21 ' HE2' ' A' ' 146' ' ' LYS . 0.3 OUTLIER -70.67 128.02 34.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 m -65.39 164.16 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.4 t -104.23 -38.59 6.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -149.56 179.28 8.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 72' ' ' SER . 81.0 t80 -58.16 -43.2 87.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.051 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.54 -24.52 39.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.632 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -81.43 -29.87 33.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.4 mt -68.92 102.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 m -160.84 116.75 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.66 -155.36 17.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 m -69.14 125.55 27.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.344 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.3 pt -140.76 159.15 24.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.0 151.18 49.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.472 HD11 ' CD1' ' A' ' 76' ' ' LEU . 4.6 mt -112.71 141.96 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -133.35 105.0 6.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.9 mtp -75.58 -60.73 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.666 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 0.9 OUTLIER -90.95 163.4 14.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -73.61 82.44 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.5 -29.6 5.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . . . -89.5 153.96 20.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -136.66 160.48 38.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.9 mt -73.53 107.78 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -87.46 154.79 20.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.419 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -110.38 155.57 21.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 39' ' ' ALA . 76.9 mt -130.6 131.81 45.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -60.03 -30.25 69.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -57.87 -28.36 64.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.38 32.94 1.4 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 mt -141.69 166.79 23.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CE2' HD21 ' A' ' 84' ' ' LEU . 14.7 m-85 -129.54 123.04 30.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.481 ' C ' HD11 ' A' ' 132' ' ' ILE . 2.9 t -116.22 171.7 7.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.792 HD13 ' SG ' ' A' ' 126' ' ' CYS . 17.0 tp -89.22 111.25 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.82 137.63 39.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.5 150.56 73.58 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.707 0.289 . . . . 0.0 111.087 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.06 137.25 40.37 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.613 2.209 . . . . 0.0 112.311 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -60.4 163.77 4.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -78.57 -34.44 46.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -91.28 161.8 14.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.78 -65.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -79.8 88.81 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.34 161.13 38.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -108.01 168.51 13.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.91 170.5 15.41 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.583 2.189 . . . . 0.0 112.359 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.38 168.32 11.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.541 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 50.9 Cg_exo -52.32 -48.64 20.76 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.602 2.202 . . . . 0.0 112.693 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 57.0 Cg_endo -70.88 -19.6 30.57 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.25 1.966 . . . . 0.0 112.435 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -86.1 -29.56 23.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.006 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -58.76 145.68 39.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.421 ' CE1' HD11 ' A' ' 84' ' ' LEU . 56.4 m-85 -133.18 159.91 38.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.1 m -120.98 130.49 53.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.43 142.69 27.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -137.83 114.02 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.19 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -67.26 135.04 52.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.498 HD11 ' HB2' ' A' ' 75' ' ' ALA . 10.8 mt -122.9 -72.21 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.81 154.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 t0 55.58 42.57 29.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 0.7 OUTLIER 59.98 29.88 19.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -105.18 120.9 42.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.9 pt -120.12 143.16 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.498 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -108.1 120.98 43.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.06 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.472 ' CD1' HD11 ' A' ' 29' ' ' ILE . 74.6 mt -75.03 173.09 11.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -154.57 117.52 4.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.9 p -62.97 146.59 52.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.34 -28.09 61.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.572 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -63.99 -39.03 93.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.325 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.47 43.26 0.25 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.521 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -139.75 176.51 8.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -111.02 131.93 54.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.565 HD21 ' CE2' ' A' ' 45' ' ' PHE . 82.3 mt -75.72 111.72 11.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.49 127.0 3.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.542 HD13 ' ND2' ' A' ' 120' ' ' ASN . 2.5 pp -63.65 162.46 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -101.31 172.42 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.1 p -62.52 -33.35 74.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.43 -45.54 53.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 128.57 42.34 0.25 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.551 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.8 tp -122.13 121.47 36.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.93 101.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.6 m -116.16 176.19 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.68 97.32 0.18 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.541 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.73 86.02 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -177.03 111.5 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -62.89 -31.64 72.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.83 176.14 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.9 mt -107.37 86.81 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -77.6 166.84 53.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.68 -42.4 62.8 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.551 2.167 . . . . 0.0 112.342 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -64.39 -31.25 72.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 26.7 mp0 -70.11 -28.66 65.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -62.88 146.31 53.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.005 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 83.0 m95 -130.14 -179.92 5.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -155.45 90.65 2.88 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.34 155.55 9.37 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.568 2.179 . . . . 0.0 112.206 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.5 t -141.15 157.03 22.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.445 ' N ' HG12 ' A' ' 108' ' ' VAL . 95.8 m-85 -143.91 116.79 8.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -129.14 105.39 8.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 59.69 39.66 20.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.27 -40.91 2.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.435 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -61.59 -180.0 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.742 0.306 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 2.9 ptp -158.89 141.97 14.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -140.45 121.51 14.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.068 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.48 119.01 19.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.7 tp -100.93 131.26 46.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.513 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -73.22 168.01 20.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.6 t -64.38 -15.38 60.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.189 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.542 ' ND2' HD13 ' A' ' 86' ' ' ILE . 41.7 p30 -95.24 23.88 5.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.207 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.9 43.36 30.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.174 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.416 ' HB3' ' HB1' ' A' ' 134' ' ' ALA . 1.6 m -145.11 121.92 11.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.656 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 65.7 m-85 -59.48 173.05 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 24.3 pt -107.9 145.27 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.227 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 34.7 ttt-85 -160.41 131.46 5.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.792 ' SG ' HD13 ' A' ' 47' ' ' LEU . 22.3 p -87.2 161.49 18.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.962 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -109.37 152.58 25.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.69 -29.97 67.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.5 -36.75 76.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 138.06 -21.44 3.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.594 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.47 149.78 45.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 0.0 110.941 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.481 HD11 ' C ' ' A' ' 46' ' ' THR . 30.9 mt -128.67 108.47 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.038 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.39 171.16 8.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.416 ' HB1' ' HB3' ' A' ' 122' ' ' CYS . . . -88.2 131.73 34.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.47 170.65 15.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.95 -179.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -60.29 -31.43 70.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.1 p -69.5 130.51 42.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.656 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -108.54 107.19 17.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.64 174.74 47.86 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.69 -32.66 74.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.69 -30.88 20.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.978 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -26.75 64.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.3 mmt -57.1 163.05 2.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.899 0.38 . . . . 0.0 110.966 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 2.4 pt -133.38 179.52 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.458 ' HE2' HG21 ' A' ' 16' ' ' THR . 7.4 mtpt -136.89 100.72 4.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 21.4 mt -84.17 113.56 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -107.35 142.98 36.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.7 t -117.66 146.36 43.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' CYS . . . . . 0.407 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 29.1 p -107.97 33.33 4.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.772 0.32 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 10' ' ' ILE . 2.5 tt -128.47 124.01 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.6 t -122.34 104.73 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.046 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.27 -77.6 0.12 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 pt -145.85 30.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -132.42 123.17 26.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -124.18 140.79 52.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 m -74.38 141.9 45.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.454 HG21 HG12 ' A' ' 23' ' ' ILE . 31.5 m -82.17 173.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.84 -44.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -128.18 166.99 17.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.656 ' HA ' HD12 ' A' ' 23' ' ' ILE . 78.9 t80 -61.58 -35.56 78.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.75 -26.06 53.01 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -89.1 -28.4 20.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.731 0.301 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 20' ' ' PHE . 54.0 mt -65.42 106.68 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.048 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.0 t -172.48 144.67 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.7 -148.41 19.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -86.33 114.43 23.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.584 HD12 HG23 ' A' ' 147' ' ' ILE . 5.4 pt -129.01 139.53 51.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.32 154.62 18.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.3 mp -128.34 130.45 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 16.3 tt0 -115.96 115.93 27.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.412 ' HE1' HG23 ' A' ' 132' ' ' ILE . 19.1 mtt -84.59 -60.86 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.47 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 2.2 m-20 -88.02 175.91 7.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.04 80.98 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.82 -32.22 6.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.543 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . . . -85.4 134.25 34.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.848 0.356 . . . . 0.0 111.074 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.414 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 50.3 m-85 -111.6 177.02 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.6 mt -79.96 121.38 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -105.67 133.54 50.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.408 ' HA ' ' CD2' ' A' ' 45' ' ' PHE . . . -85.14 135.37 34.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.9 mt -100.18 179.28 4.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -105.54 -10.18 17.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.41 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -97.0 30.03 2.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.758 0.313 . . . . 0.0 111.039 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.7 34.07 87.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.568 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.648 HD23 HG12 ' A' ' 93' ' ' VAL . 34.6 mt -134.3 179.8 6.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.728 0.299 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.408 ' CD2' ' HA ' ' A' ' 39' ' ' ALA . 31.0 m-85 -147.04 111.0 5.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t -104.16 174.23 5.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.7 tp -80.46 111.53 16.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.7 150.91 41.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.442 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.92 137.62 90.62 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.634 0.254 . . . . 0.0 111.026 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.83 128.37 14.96 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.506 2.137 . . . . 0.0 112.249 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -60.46 169.97 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 ptt85 -103.0 -41.19 6.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -79.72 130.84 35.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.96 -41.66 86.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.74 73.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.958 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.37 156.01 42.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -96.88 157.43 21.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.89 152.38 73.64 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.617 2.211 . . . . 0.0 112.302 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.4 ' HB3' ' HD2' ' A' ' 60' ' ' PRO . 1.2 m -68.06 168.81 11.74 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.508 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 48.8 Cg_exo -54.92 -47.84 24.44 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.612 2.208 . . . . 0.0 112.622 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 73.7 Cg_endo -75.87 -26.86 9.16 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.195 1.93 . . . . 0.0 112.337 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -69.1 -31.6 70.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -72.47 123.52 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.505 ' HB3' HD22 ' A' ' 76' ' ' LEU . 88.7 m-85 -112.31 149.0 33.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.36 120.23 41.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.06 145.57 25.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.036 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.03 107.82 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' HE3' ' CE2' ' A' ' 20' ' ' PHE . 25.1 mtpt -59.87 146.3 42.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 75' ' ' ALA . 22.1 mt -129.73 -68.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.3 m -178.89 154.94 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 t0 59.81 37.08 22.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 10.9 m 60.3 51.88 5.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.4 mmm-85 -128.61 137.01 51.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.1 pt -123.25 151.45 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.431 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -110.32 103.71 12.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 64' ' ' PHE . 14.3 mt -70.12 152.39 44.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -138.41 120.25 15.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.3 p -61.16 152.31 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.39 -28.89 67.94 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -63.02 -31.26 72.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.87 36.51 0.96 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.584 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -131.61 161.75 31.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -95.38 124.9 39.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.484 HD12 ' HB3' ' A' ' 76' ' ' LEU . 14.4 mt -59.58 114.97 2.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -124.61 157.05 18.84 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.759 HD13 ' HB1' ' A' ' 118' ' ' ALA . 21.4 pt -109.92 136.55 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 111.159 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -74.46 164.4 26.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -69.11 -31.23 69.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.76 -31.47 68.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 118.28 38.62 0.79 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.541 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.476 HD12 ' HB3' ' A' ' 133' ' ' GLU . 4.8 tp -128.49 120.2 26.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.0 t -62.98 117.24 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.054 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.648 HG12 HD23 ' A' ' 44' ' ' LEU . 10.8 m -142.6 131.59 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -101.91 104.96 2.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.527 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -172.64 63.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.942 0.401 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.5 t -123.27 -39.54 2.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.042 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 66.35 31.62 8.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.72 142.51 0.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.4 mt -68.0 96.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.077 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -103.85 169.96 18.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.07 -51.78 9.43 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.574 2.182 . . . . 0.0 112.323 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.0 mtt85 -61.39 -33.72 74.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -62.6 -27.84 69.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -60.96 143.47 55.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.451 ' HB3' HD11 ' A' ' 116' ' ' LEU . 88.4 m95 -125.92 159.36 32.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.77 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -135.87 97.47 12.47 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.019 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.86 143.88 51.71 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.473 2.115 . . . . 0.0 112.215 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.5 148.59 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.202 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.432 ' CZ ' HD11 ' A' ' 23' ' ' ILE . 36.4 m-85 -125.02 128.96 49.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.79 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.95 122.89 15.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 59.41 30.63 20.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.83 -36.86 3.63 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -61.37 -179.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.426 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 10.1 ptp -151.04 145.74 25.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.49 157.88 43.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.451 HD11 ' HB3' ' A' ' 105' ' ' TRP . 20.6 tp -111.08 100.47 9.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.981 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.8 tp -79.13 131.38 36.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.759 ' HB1' HD13 ' A' ' 86' ' ' ILE . . . -76.01 169.72 17.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.5 t -71.7 -9.48 58.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -95.75 24.75 5.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.645 0.259 . . . . 0.0 111.198 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.7 p 54.36 32.53 16.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.812 0.339 . . . . 0.0 111.112 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.774 ' HB3' ' HB1' ' A' ' 134' ' ' ALA . 95.3 m -133.66 139.66 46.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.418 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 23.2 m-85 -77.49 151.05 34.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.2 pt -89.18 158.25 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.503 ' O ' HG23 ' A' ' 132' ' ' ILE . 9.8 ptm180 -177.17 158.86 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 14.8 p -102.94 179.05 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -130.22 152.19 49.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.31 -31.62 70.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.815 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.85 -31.24 66.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.073 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 117.28 50.19 0.39 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -145.37 137.44 25.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.503 HG23 ' O ' ' A' ' 125' ' ' ARG . 31.8 mt -108.74 122.16 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.476 ' HB3' HD12 ' A' ' 91' ' ' LEU . 0.8 OUTLIER -142.32 170.92 14.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.774 ' HB1' ' HB3' ' A' ' 122' ' ' CYS . . . -74.41 176.92 6.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.8 167.84 27.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -57.09 165.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -58.96 -30.58 68.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.2 p -62.75 101.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.418 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -86.45 118.49 25.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -88.18 179.67 46.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.554 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -68.26 -31.15 70.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.784 0.326 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -80.43 -36.07 34.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -30.43 69.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 23.8 mmt -59.07 134.43 56.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 3.9 pt -109.28 178.0 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -129.31 98.41 4.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.584 HG23 HD12 ' A' ' 27' ' ' ILE . 22.8 mt -80.52 105.37 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -98.08 138.84 34.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.7 t -112.45 149.42 32.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 26.4 p -131.1 35.99 3.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.109 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.801 0.334 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.503 ' O ' HG23 ' A' ' 10' ' ' ILE . 8.7 tt -79.3 118.79 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.057 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.3 106.76 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.89 -83.59 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.406 HG13 ' CD1' ' A' ' 14' ' ' TRP . 0.9 OUTLIER -141.09 31.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 111.053 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.412 ' CE2' ' HD2' ' A' ' 58' ' ' PRO . 49.0 m95 -136.9 117.38 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.2 p-90 -103.2 128.65 50.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.5 m -60.25 137.07 58.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.421 HG11 HG12 ' A' ' 23' ' ' ILE . 13.0 m -76.57 167.94 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.229 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.2 m -119.02 -41.03 2.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.952 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -134.49 175.01 9.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.768 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 60.3 t80 -58.97 -44.53 91.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.04 -26.79 49.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.681 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -70.37 -38.83 74.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.515 HG23 HG21 ' A' ' 27' ' ' ILE . 39.9 mt -73.36 116.73 16.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.46 115.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.98 -156.34 19.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 m -60.57 114.47 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.515 HG21 HG23 ' A' ' 23' ' ' ILE . 2.6 pt -127.43 166.34 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.5 137.64 48.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.081 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.446 HG23 HD12 ' A' ' 145' ' ' ILE . 23.2 mt -108.3 143.82 17.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -131.4 115.53 16.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.636 ' HA ' HG22 ' A' ' 145' ' ' ILE . 5.5 mtt -93.12 -45.5 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.487 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 2.5 t70 -107.13 171.06 7.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -78.74 85.78 4.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.25 -30.68 6.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.529 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.487 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . . . -87.11 145.13 26.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -124.83 169.06 12.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.41 HD12 ' HB ' ' A' ' 29' ' ' ILE . 30.1 mt -74.77 113.84 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.17 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -102.1 147.49 26.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.593 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -115.92 140.39 49.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.556 HD13 HD21 ' A' ' 42' ' ' ASN . 40.6 mt -98.12 156.15 16.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -65.94 -31.81 72.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.556 HD21 HD13 ' A' ' 40' ' ' LEU . 11.2 p30 -66.87 -31.2 71.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.13 -25.47 4.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.591 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.8 mt -71.4 170.32 13.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.68 ' HB3' HD12 ' A' ' 132' ' ' ILE . 20.6 m-85 -134.04 146.56 50.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -145.03 152.85 40.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.581 HD13 ' SG ' ' A' ' 126' ' ' CYS . 37.7 tp -64.08 108.84 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.32 174.04 5.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.66 150.38 40.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.734 0.302 . . . . 0.0 111.08 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.9 158.05 58.08 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.471 2.114 . . . . 0.0 112.298 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -90.07 160.06 16.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -62.64 1.5 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -68.48 161.46 27.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.4 p -86.27 -31.7 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -109.77 86.58 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -148.11 139.08 23.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.87 160.29 51.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.422 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.412 ' HD2' ' CE2' ' A' ' 14' ' ' TRP . 54.7 Cg_endo -69.84 177.68 5.39 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.514 2.142 . . . . 0.0 112.298 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.411 ' HB3' ' HD2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -95.18 171.15 6.88 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.557 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 64.3 Cg_exo -50.21 -50.3 13.85 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.567 2.178 . . . . 0.0 112.77 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 37.5 Cg_endo -65.93 -24.88 52.82 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.124 1.883 . . . . 0.0 112.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.405 ' O ' ' CE1' ' A' ' 64' ' ' PHE . 3.8 mt-10 -81.21 -30.91 34.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -76.17 122.94 25.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.471 ' CD2' HD11 ' A' ' 84' ' ' LEU . 82.6 m-85 -109.85 161.93 14.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.1 m -111.26 118.4 35.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.452 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -90.68 135.86 33.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.2 t -128.16 123.16 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.18 144.19 50.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.4 mt -132.76 -73.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.99 157.46 0.69 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.787 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 59.09 31.56 21.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.2 33.59 16.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.5 103.18 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.768 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 19.4 pt -95.61 153.94 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -108.51 126.89 53.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.016 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.697 ' HB3' HD12 ' A' ' 84' ' ' LEU . 13.9 mt -89.52 164.79 14.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.964 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.3 tttm -157.26 124.83 5.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.427 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -67.71 147.5 52.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.76 -28.31 65.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -60.43 -38.01 82.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.339 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.61 46.48 0.21 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -149.12 149.54 31.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -88.75 139.12 30.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.697 HD12 ' HB3' ' A' ' 76' ' ' LEU . 55.7 mt -78.01 111.9 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -134.05 127.17 4.47 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.7 pp -69.8 151.27 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 111.109 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -87.11 166.58 14.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 63.7 p -61.42 -32.34 72.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.3 -30.99 65.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 117.92 35.06 1.08 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 tp -114.4 142.76 45.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.9 121.16 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.4 m -139.35 179.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.143 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -155.06 85.67 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.56 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -156.26 31.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.839 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.7 -38.83 6.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.75 31.71 20.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.63 143.16 29.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 26.1 mt -83.91 77.46 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -99.57 173.64 26.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.538 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.412 ' HA ' ' HG3' ' A' ' 104' ' ' GLN . 53.9 Cg_exo -52.03 -36.7 66.19 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.639 2.226 . . . . 0.0 112.285 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -71.63 -36.02 70.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.408 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 9.6 mp0 -70.82 -24.15 62.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.212 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.412 ' HG3' ' HA ' ' A' ' 101' ' ' PRO . 10.7 mt-30 -57.35 150.2 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 0.0 111.097 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.696 ' CD1' HD12 ' A' ' 76' ' ' LEU . 98.5 m95 -138.53 135.27 34.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.79 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -124.65 95.34 42.91 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.969 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.29 144.95 58.29 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.478 2.118 . . . . 0.0 112.304 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.74 131.64 64.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.232 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -110.61 120.91 43.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -150.02 134.26 17.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 59.25 47.59 11.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 57.61 25.74 55.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.607 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -127.07 177.01 6.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.351 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -152.92 129.02 10.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.68 124.24 22.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.066 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.675 HD21 HD11 ' A' ' 76' ' ' LEU . 4.8 tp -68.01 131.16 44.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.5 tp -102.85 128.13 49.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.975 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.538 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -78.34 163.42 25.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.7 t -58.23 -20.9 45.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.538 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 34.4 p-10 -96.36 24.2 6.01 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.37 41.48 31.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.871 0.367 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 14.4 m -132.04 117.64 18.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.414 ' CD2' ' HB2' ' A' ' 139' ' ' ALA . 62.8 m-85 -60.23 139.79 57.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.55 HD11 HD13 ' A' ' 145' ' ' ILE . 23.6 pt -71.66 159.59 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.0 ttt-85 -172.34 155.99 3.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.581 ' SG ' HD13 ' A' ' 47' ' ' LEU . 8.2 p -108.41 128.44 54.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -73.83 173.55 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -84.89 -31.68 23.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.21 -43.92 60.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 136.59 46.11 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -136.92 99.57 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.68 HD12 ' HB3' ' A' ' 45' ' ' PHE . 28.8 mt -73.51 99.29 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -121.09 172.34 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -91.99 114.12 26.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.052 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.56 171.51 7.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -60.28 179.44 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -60.54 -30.61 69.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.99 116.72 6.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.414 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . . . -100.65 103.64 14.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.08 179.97 37.98 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.63 -32.42 73.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -86.28 -29.05 23.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -30.27 65.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 24.4 mmt -59.46 154.32 17.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.636 HG22 ' HA ' ' A' ' 31' ' ' MET . 18.4 pt -130.0 157.61 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -112.34 87.16 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 4.8 mt -75.18 130.35 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 33.9 mtt-85 -124.76 175.47 7.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.3 t -144.98 156.74 44.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 9.8 p -120.9 31.57 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.942 0.401 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -102.0 113.07 37.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.098 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.513 HG13 ' HA ' ' A' ' 55' ' ' ASP . 21.4 t -115.58 94.12 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.78 -76.08 0.22 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.428 HG13 ' CD1' ' A' ' 14' ' ' TRP . 4.0 pt -140.54 31.25 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.428 ' CD1' HG13 ' A' ' 13' ' ' ILE . 80.2 m95 -136.01 114.51 11.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.565 ' HB3' HD12 ' A' ' 10' ' ' ILE . 53.3 p-90 -114.26 133.87 55.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.9 m -65.98 144.35 56.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.613 HG21 HG12 ' A' ' 23' ' ' ILE . 14.0 m -90.52 158.17 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.099 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -113.71 -36.74 4.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -131.67 173.96 10.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.964 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.689 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 69.2 t80 -59.57 -45.2 92.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.024 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.64 -26.32 45.76 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.691 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.415 ' HB3' HG12 ' A' ' 17' ' ' VAL . 3.9 mt-10 -73.33 -31.51 64.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.784 0.326 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.613 HG12 HG21 ' A' ' 17' ' ' VAL . 34.7 mt -75.37 122.34 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.144 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.2 t -177.01 153.22 0.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.33 -164.28 41.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.475 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.95 122.99 15.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.5 pp -135.76 155.62 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.17 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.41 135.88 54.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.585 ' HB ' HD12 ' A' ' 37' ' ' ILE . 32.5 mt -105.62 140.47 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -125.2 111.79 15.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.485 ' HE2' HD12 ' A' ' 124' ' ' ILE . 32.3 mtt -89.96 -39.73 12.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.491 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 2.4 m-20 -106.29 169.22 8.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -77.72 84.67 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.16 -37.73 3.31 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.45 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . . . -80.97 163.84 23.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.909 0.385 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -139.47 168.49 19.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.585 HD12 ' HB ' ' A' ' 29' ' ' ILE . 15.7 mt -72.99 105.84 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -92.24 112.41 24.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.23 175.89 6.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 mt -140.72 154.84 46.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.958 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -73.57 -36.59 65.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.958 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -58.46 -27.05 64.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.27 24.66 4.07 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.2 mt -121.43 -179.96 4.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.792 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.538 ' CZ ' HD21 ' A' ' 84' ' ' LEU . 33.9 m-85 -141.71 126.87 18.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.052 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 t -124.67 159.11 31.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.79 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.604 HD22 ' SG ' ' A' ' 126' ' ' CYS . 14.4 tp -78.55 104.49 9.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.16 174.12 7.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.405 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.72 148.85 49.79 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.698 0.285 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.66 165.32 32.38 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.557 2.171 . . . . 0.0 112.348 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -94.21 160.67 14.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.38 -41.85 10.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.53 151.13 27.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.35 -64.21 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.513 ' HA ' HG13 ' A' ' 11' ' ' VAL . 0.4 OUTLIER -80.38 79.59 6.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -133.59 158.32 43.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -102.51 151.52 18.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.432 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.65 158.31 53.79 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.526 2.151 . . . . 0.0 112.389 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.421 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . 51.1 m -80.02 164.04 54.76 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.761 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.498 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 50.5 Cg_exo -54.02 -45.08 43.69 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.505 2.136 . . . . 0.0 112.794 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 60' ' ' PRO . 38.3 Cg_exo -59.73 -34.92 95.92 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.527 2.152 . . . . 0.0 112.022 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 34.0 mt-10 -82.92 -30.51 28.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -69.98 117.66 11.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.434 ' CE2' HD11 ' A' ' 84' ' ' LEU . 85.3 m-85 -101.84 174.05 6.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.47 118.37 24.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.38 158.97 21.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 75' ' ' ALA . 21.5 t -152.34 108.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.01 110.68 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.731 HD21 HD13 ' A' ' 99' ' ' ILE . 89.1 mt -92.28 -79.41 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 m 179.93 155.42 0.59 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t0 59.02 42.11 19.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.73 40.25 13.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -122.12 129.62 52.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.689 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 15.1 pt -120.41 145.07 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.553 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -102.71 124.57 48.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.622 HD11 HD21 ' A' ' 116' ' ' LEU . 21.6 mt -89.21 152.28 21.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -144.76 119.19 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 p -60.23 159.9 9.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.1 -32.44 84.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.557 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -61.31 -39.12 89.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 125.11 41.26 0.37 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -136.87 136.6 38.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -76.25 135.2 39.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.538 HD21 ' CZ ' ' A' ' 45' ' ' PHE . 20.7 mt -68.54 116.12 8.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -130.83 119.17 2.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.7 pt -74.17 149.79 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 111.072 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -91.97 168.2 11.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.1 p -73.28 -32.24 64.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.13 -40.89 91.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 127.39 63.34 0.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.525 HD12 ' HB3' ' A' ' 133' ' ' GLU . 1.2 tp -152.92 150.0 28.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.9 t -98.13 104.11 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.048 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.454 HG21 ' NH1' ' A' ' 95' ' ' ARG . 27.2 m -125.23 157.21 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -120.75 104.22 0.96 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.454 ' NH1' HG21 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -169.54 91.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.785 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.7 t -169.74 -42.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.24 33.6 14.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.72 143.77 17.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.083 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.731 HD13 HD21 ' A' ' 69' ' ' LEU . 32.9 mt -77.2 80.21 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -90.2 177.16 42.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.84 -61.17 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.533 2.155 . . . . 0.0 112.412 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -57.76 -31.02 66.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.407 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 1.9 mp0 -64.06 -28.3 69.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -58.64 152.77 17.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.052 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.416 ' CE2' HD12 ' A' ' 76' ' ' LEU . 98.8 m95 -137.02 145.62 44.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -132.09 90.03 36.22 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.1 154.4 70.43 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.521 2.147 . . . . 0.0 112.266 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.3 t -140.24 158.77 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.181 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.476 ' N ' HG12 ' A' ' 108' ' ' VAL . 18.5 m-85 -130.9 129.0 41.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -142.68 128.99 19.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 59.03 26.83 15.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.78 -31.29 7.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.582 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -70.8 178.05 3.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.33 . . . . 0.0 110.954 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.486 ' HG3' HD12 ' A' ' 147' ' ' ILE . 4.0 ptp -147.41 142.55 27.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -137.26 143.58 42.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.622 HD21 HD11 ' A' ' 76' ' ' LEU . 45.1 tp -96.34 90.33 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.7 tp -71.27 131.23 43.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.456 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -76.45 169.43 18.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.8 t -65.67 -14.17 60.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.456 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 47.9 p30 -93.69 20.81 7.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.301 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.88 53.51 8.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.876 0.369 . . . . 0.0 111.04 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.3 m -156.69 136.47 12.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.833 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 49.5 m-85 -67.15 168.19 10.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.498 HD11 HD13 ' A' ' 145' ' ' ILE . 21.1 pt -93.19 159.79 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.24 161.35 19.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.604 ' SG ' HD22 ' A' ' 47' ' ' LEU . 25.0 p -111.96 173.24 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.977 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -127.77 160.77 30.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.48 -37.79 83.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.29 -34.92 73.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.12 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 121.5 38.79 0.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -123.53 101.71 7.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.9 mm -70.02 110.83 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.525 ' HB3' HD12 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -119.82 179.65 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -106.26 122.8 46.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.8 169.66 17.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.817 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.33 177.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -62.81 -31.6 72.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.2 p -58.69 132.33 53.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.833 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -112.96 155.31 25.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.047 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -143.97 173.47 24.75 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.23 -31.67 69.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.367 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -85.88 -31.17 22.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -30.64 69.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.443 ' CE ' ' HB1' ' A' ' 139' ' ' ALA . 23.3 mmt -59.16 139.77 56.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.498 HD13 HD11 ' A' ' 124' ' ' ILE . 3.3 pt -118.15 176.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -129.69 100.1 5.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.486 HD12 ' HG3' ' A' ' 114' ' ' MET . 2.4 mp -81.46 104.61 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.84 149.68 24.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 38.3 t -135.82 133.04 37.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 30.2 p -107.12 31.85 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 -179.941 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.768 0.318 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.573 ' O ' HG23 ' A' ' 10' ' ' ILE . 12.6 tt -119.31 113.34 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.653 HG13 ' HA ' ' A' ' 55' ' ' ASP . 21.5 t -99.59 89.85 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.46 -78.33 0.34 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.42 HG13 ' CD1' ' A' ' 14' ' ' TRP . 0.9 OUTLIER -139.35 32.62 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.845 0.355 . . . . 0.0 111.083 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.42 ' CD1' HG13 ' A' ' 13' ' ' ILE . 52.9 m95 -141.76 118.62 11.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 50.8 p-90 -114.83 134.17 55.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.2 m -67.51 125.21 25.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.7 m -70.83 173.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.167 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.33 -48.93 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -112.09 178.1 4.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.661 ' HA ' HD12 ' A' ' 23' ' ' ILE . 69.8 t80 -74.37 -34.24 63.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.994 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.33 -27.6 60.76 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.565 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.79 -29.76 62.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.979 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.714 HG21 HD13 ' A' ' 74' ' ' ILE . 20.1 mt -68.54 105.47 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.25 104.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.819 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.48 -158.67 14.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.439 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.5 m -67.04 132.09 47.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.3 pt -139.2 173.3 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.47 126.16 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.9 mt -105.46 123.41 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.1 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -107.27 111.64 24.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.988 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.446 ' HG3' HD11 ' A' ' 37' ' ' ILE . 4.2 mtt -86.07 -48.32 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.864 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 15.9 t70 -102.39 161.8 13.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -71.16 79.99 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.26 -31.21 5.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.53 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.864 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . . . -86.11 163.42 17.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.766 0.317 . . . . 0.0 111.085 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -136.9 151.98 49.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.446 HD11 ' HG3' ' A' ' 31' ' ' MET . 4.0 mt -66.31 116.43 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -100.04 162.74 12.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.741 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -126.87 141.1 51.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 44' ' ' LEU . 17.9 mt -97.42 154.29 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.94 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -65.8 -31.51 72.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -67.97 -35.52 78.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.17 -26.59 2.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.542 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' HB2' HD12 ' A' ' 40' ' ' LEU . 11.5 mt -67.18 173.17 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.741 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 21.2 m-85 -138.64 134.08 33.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.7 t -126.17 179.89 5.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.554 HD13 ' CB ' ' A' ' 126' ' ' CYS . 8.3 tp -94.21 108.58 20.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.67 163.98 12.98 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.554 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.03 148.68 84.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.681 0.277 . . . . 0.0 111.118 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.74 146.49 54.29 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.624 2.216 . . . . 0.0 112.315 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -75.18 142.11 43.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 -70.03 -37.19 75.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.92 146.83 27.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.01 -49.94 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.653 ' HA ' HG13 ' A' ' 11' ' ' VAL . 77.2 m-20 -110.06 79.09 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -125.74 132.63 52.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.85 150.29 51.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.05 162.09 43.14 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.609 2.206 . . . . 0.0 112.282 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.8 m -75.6 162.05 73.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.803 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.561 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 54.4 Cg_exo -51.29 -48.17 22.45 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.504 2.136 . . . . 0.0 112.618 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 56.3 Cg_endo -70.55 -25.28 25.12 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.136 1.891 . . . . 0.0 112.285 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -78.61 -31.35 47.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.82 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -67.58 134.78 51.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.536 ' CE1' HD11 ' A' ' 84' ' ' LEU . 97.6 m-85 -114.61 158.03 22.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.85 134.92 52.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.15 133.7 49.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.068 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.04 132.12 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.412 ' O ' HD23 ' A' ' 69' ' ' LEU . 2.0 mtpm? -76.16 144.88 40.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.849 HD11 ' HB2' ' A' ' 75' ' ' ALA . 12.5 mt -133.34 -72.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.0 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.3 p 179.82 157.21 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 54.82 36.33 26.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 1.0 OUTLIER 61.23 29.66 18.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -105.91 104.18 13.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.731 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.714 HD13 HG21 ' A' ' 23' ' ' ILE . 35.4 pt -95.2 140.28 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.282 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.849 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -93.94 134.48 36.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.053 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.742 ' HB3' HD12 ' A' ' 84' ' ' LEU . 26.4 mt -96.41 146.26 24.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -132.07 125.32 31.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.797 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.2 p -63.91 158.07 23.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.47 -27.13 57.96 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -72.6 -31.82 65.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.24 -18.62 5.24 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.623 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -70.98 169.62 14.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.83 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -107.07 133.69 51.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.742 HD12 ' HB3' ' A' ' 76' ' ' LEU . 80.7 mt -69.49 130.91 43.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.89 128.23 2.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.5 pt -67.21 166.12 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.903 0.382 . . . . 0.0 111.106 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -111.88 176.51 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.5 p -65.01 -31.34 72.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.69 -34.04 66.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 128.8 -24.4 4.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.592 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tp -56.93 155.88 7.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 111.048 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.72 95.87 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 24.2 m -104.74 168.71 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -136.98 95.92 0.24 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -167.46 107.76 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.75 -39.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.978 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.06 30.57 13.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.811 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.06 -168.8 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.3 mt -122.87 89.82 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.73 -160.04 27.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.54 -45.74 1.09 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.584 2.189 . . . . 0.0 112.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -33.11 75.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.406 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 0.7 OUTLIER -66.03 -19.63 65.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.211 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -71.49 125.52 27.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.848 0.356 . . . . 0.0 111.006 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 93.1 m95 -124.4 141.36 52.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.789 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -119.9 97.82 49.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.952 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.23 153.85 70.74 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.397 2.065 . . . . 0.0 112.242 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.491 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.2 t -140.83 159.41 23.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.293 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.491 ' N ' HG12 ' A' ' 108' ' ' VAL . 51.0 m-85 -133.48 141.34 47.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.77 101.76 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 57.23 47.62 16.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.0 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.91 -45.21 2.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.4 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -60.5 179.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.8 ptp -161.11 153.23 19.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -144.41 163.46 33.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.629 HD21 HD11 ' A' ' 76' ' ' LEU . 10.1 tp -115.91 123.53 48.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.7 tp -105.85 123.26 47.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.808 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.533 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -65.34 165.37 11.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.26 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.51 -16.04 61.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.236 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.533 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 40.9 p30 -94.02 21.33 6.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.271 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.75 52.55 10.69 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.834 0.35 . . . . 0.0 111.083 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.3 m -147.85 125.52 11.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.425 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 45.1 m-85 -63.85 129.45 40.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 37.7 pt -68.17 160.91 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.253 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.81 173.38 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.554 ' CB ' HD13 ' A' ' 47' ' ' LEU . 25.9 p -122.74 157.0 33.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -101.05 173.37 6.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -71.15 -47.85 55.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.85 -31.21 69.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 119.08 51.42 0.29 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.451 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.77 127.08 33.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.322 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 28.0 mm -90.09 108.47 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.34 168.28 11.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -91.42 100.16 12.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -61.23 167.0 3.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.62 -180.0 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -70.04 -29.42 66.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 11.6 p -56.96 127.77 33.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.015 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.425 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -109.37 97.85 7.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -84.73 179.97 51.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -59.53 -49.62 77.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -66.2 -30.5 70.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.95 -31.03 68.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.7 mmt -60.09 147.88 37.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.401 HG22 ' HA ' ' A' ' 31' ' ' MET . 10.0 pt -133.53 174.91 12.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -126.36 105.64 8.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 23.2 mt -89.34 119.56 36.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -104.81 161.32 14.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 7.6 t -144.49 143.26 30.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 25.6 p -110.56 32.61 5.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.851 0.358 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.459 HD12 ' HB3' ' A' ' 15' ' ' TRP . 0.9 OUTLIER -116.95 136.3 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.046 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.81 102.94 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.38 -87.42 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.445 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.409 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.4 pt -132.01 30.82 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 111.119 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.409 ' CD1' HG13 ' A' ' 13' ' ' ILE . 68.3 m95 -132.29 139.0 48.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.459 ' HB3' HD12 ' A' ' 10' ' ' ILE . 35.6 p-90 -131.73 138.33 48.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.41 127.5 32.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.932 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 147' ' ' ILE . 31.3 m -64.62 177.85 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -139.43 -47.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -132.02 176.03 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.434 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 10.5 t80 -61.93 -39.74 93.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.21 -28.61 64.48 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.441 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -81.5 -31.53 32.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.488 HG12 HG11 ' A' ' 17' ' ' VAL . 8.8 mt -82.24 95.98 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -158.92 112.6 2.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.19 -156.57 15.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.24 130.6 47.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.426 HG22 ' HB2' ' A' ' 149' ' ' SER . 14.6 pt -146.61 159.45 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.9 137.49 54.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.105 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.534 HD12 ' CD2' ' A' ' 64' ' ' PHE . 4.4 mt -115.17 128.35 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.406 ' OE2' ' CZ ' ' A' ' 36' ' ' TYR . 13.0 tt0 -116.41 104.36 11.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.7 mtt -71.1 -55.71 7.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.547 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 0.8 OUTLIER -91.83 179.74 5.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 tttp -78.09 80.21 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.28 -27.54 8.45 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.551 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.547 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . . . -89.75 145.09 25.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.853 0.359 . . . . 0.0 111.164 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.406 ' CZ ' ' OE2' ' A' ' 30' ' ' GLU . 40.0 m-85 -118.54 174.17 6.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.3 mt -79.07 116.5 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -98.9 149.41 22.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.9 175.09 5.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.09 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.3 mt -145.07 140.43 28.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.62 -30.47 70.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -58.25 -28.53 65.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.39 30.07 2.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.8 mt -135.52 180.0 5.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.745 0.307 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.583 ' CE2' HD21 ' A' ' 84' ' ' LEU . 13.6 m-85 -137.21 126.18 24.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -126.62 157.85 37.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.1 tp -64.57 120.22 11.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.5 154.95 52.8 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . . . -75.75 132.47 74.79 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 120.502 0.191 . . . . 0.0 111.065 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.506 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 50.2 Cg_exo -53.54 173.37 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.446 2.098 . . . . 0.0 112.234 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -103.44 137.04 42.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -31.28 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -103.8 142.17 34.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -69.58 -31.14 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.062 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -104.03 83.44 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -147.79 160.33 42.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -99.7 155.86 19.74 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.454 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.43 145.83 54.36 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.57 2.18 . . . . 0.0 112.357 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.15 163.72 5.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.532 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 58.6 Cg_exo -50.44 -50.8 12.5 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.532 2.155 . . . . 0.0 112.711 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 40.0 Cg_endo -66.94 -25.58 44.71 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.076 1.851 . . . . 0.0 112.242 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 10.2 mt-10 -74.06 -30.02 62.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -68.1 165.4 18.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.802 ' CE1' HD11 ' A' ' 84' ' ' LEU . 79.5 m-85 -150.38 170.49 18.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -133.61 120.73 21.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.16 134.25 35.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.063 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.605 ' HB ' ' HB3' ' A' ' 75' ' ' ALA . 29.3 t -127.84 122.24 58.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.33 126.85 30.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.784 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.778 HD11 ' HB2' ' A' ' 75' ' ' ALA . 74.7 mt -113.65 -75.0 0.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.007 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m -179.99 155.49 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t70 59.33 36.41 23.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m 60.21 57.01 3.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -133.23 125.52 29.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.434 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 27.2 pt -106.33 134.2 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.778 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -92.45 95.18 9.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.503 ' HB3' HD12 ' A' ' 84' ' ' LEU . 20.3 mt -65.68 152.81 43.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -147.5 122.33 9.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 p -65.21 150.4 48.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.22 -28.23 68.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -59.97 -30.84 69.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.85 37.76 0.75 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.508 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -136.33 165.2 26.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -100.54 122.91 44.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.802 HD11 ' CE1' ' A' ' 64' ' ' PHE . 27.9 mt -63.19 110.53 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.81 128.83 4.23 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.532 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.2 pt -66.29 166.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -98.58 171.01 8.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.6 p -74.29 -31.69 62.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -75.01 -39.91 60.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.13 55.3 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.652 HD12 ' HB3' ' A' ' 133' ' ' GLU . 1.8 tp -146.0 130.28 17.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 110.956 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.56 120.35 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.0 m -136.65 176.24 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.25 93.5 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.5 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.5 ptt85 -147.93 31.78 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.817 0.341 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.14 130.85 51.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -98.6 31.17 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -137.03 -169.45 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.6 mt -127.34 85.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.2 -170.33 32.1 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.76 -28.74 30.08 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.554 2.169 . . . . 0.0 112.325 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 -79.01 -31.41 44.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -76.1 -16.57 59.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.223 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -74.91 157.1 35.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.847 0.356 . . . . 0.0 111.058 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.414 ' CE3' ' HA ' ' A' ' 118' ' ' ALA . 84.4 m95 -141.58 175.68 9.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.745 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -148.11 100.23 3.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.082 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.23 126.8 13.4 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.524 2.149 . . . . 0.0 112.235 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.5 t -113.62 158.16 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.24 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.477 ' N ' HG12 ' A' ' 108' ' ' VAL . 58.9 m-85 -137.03 132.67 34.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -140.67 101.15 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 59.28 41.26 20.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.34 -42.43 2.15 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -60.38 175.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 4.7 ptp -156.6 151.98 26.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -151.23 116.57 5.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.508 ' HB2' HD11 ' A' ' 145' ' ' ILE . 15.4 tp -69.55 95.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 123' ' ' PHE . 8.5 tp -81.61 123.15 28.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.493 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -59.85 170.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.8 t -73.78 -7.97 54.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.294 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.493 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 44.3 p30 -96.33 25.13 5.18 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.705 0.288 . . . . 0.0 111.095 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.1 p 54.9 34.75 22.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.156 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 3.1 m -139.54 122.05 16.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.504 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 73.8 m-85 -59.86 163.15 4.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.415 ' CD1' HD23 ' A' ' 116' ' ' LEU . 27.2 pt -112.1 159.51 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.36 162.39 6.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.4 p -105.1 152.59 22.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -105.52 173.92 6.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -90.45 -31.3 16.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.17 99.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 134.99 51.79 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.579 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -155.65 148.8 24.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 26.3 mt -126.78 97.12 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.652 ' HB3' HD12 ' A' ' 91' ' ' LEU . 3.6 pt-20 -115.64 179.59 3.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -101.82 122.44 43.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.32 175.47 10.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -59.89 177.8 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -59.49 -26.78 65.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.54 117.7 4.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.504 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -94.07 115.15 27.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -100.79 173.0 24.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -63.57 -31.67 72.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.28 -30.83 43.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.78 -30.43 67.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.4 mmt -58.77 145.42 40.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.508 HD11 ' HB2' ' A' ' 116' ' ' LEU . 4.6 pt -130.81 158.54 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.059 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -98.85 86.53 3.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.536 ' O ' HG22 ' A' ' 17' ' ' VAL . 24.2 mt -76.71 105.77 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.198 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -99.48 179.61 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.426 ' HB2' HG22 ' A' ' 27' ' ' ILE . 17.2 t -158.12 134.73 9.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' CYS . . . . . 0.405 ' HB3' ' CD2' ' A' ' 14' ' ' TRP . 13.3 p -104.68 31.6 4.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.806 0.336 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.527 ' O ' HG23 ' A' ' 10' ' ' ILE . 2.0 tt -124.01 116.48 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.3 106.89 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.26 -85.89 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.418 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.4 pt -135.4 30.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.418 ' CD1' HG13 ' A' ' 13' ' ' ILE . 69.5 m95 -134.57 120.41 19.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.5 p-90 -112.61 122.53 47.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.9 m -60.11 138.06 57.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.586 HG21 HG12 ' A' ' 23' ' ' ILE . 19.7 m -76.89 140.57 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.18 -37.6 10.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.793 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -138.06 171.48 14.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.506 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 89.7 t80 -59.34 -44.23 92.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.29 -26.94 45.32 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.478 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -79.93 -29.94 39.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.586 HG12 HG21 ' A' ' 17' ' ' VAL . 39.6 mt -70.72 97.33 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.079 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -152.6 161.02 43.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.95 -149.47 47.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.8 m -70.97 130.91 42.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.516 ' CD1' ' HB2' ' A' ' 66' ' ' ALA . 46.0 pt -148.64 147.19 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -106.84 151.42 25.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.2 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.509 ' HB ' HD12 ' A' ' 37' ' ' ILE . 22.7 mt -125.73 119.31 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.417 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 15.3 tt0 -107.35 127.47 53.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.612 ' HE2' HD12 ' A' ' 124' ' ' ILE . 6.6 mtt -92.01 -55.39 3.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.28 173.26 7.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.0 79.98 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.45 -28.62 3.57 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.546 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.713 ' HB2' ' HG3' ' A' ' 50' ' ' PRO . . . -99.68 152.24 20.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.81 0.338 . . . . 0.0 111.117 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.417 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 81.6 m-85 -125.61 167.82 14.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.509 HD12 ' HB ' ' A' ' 29' ' ' ILE . 32.9 mt -76.09 113.28 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.179 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -95.67 158.53 15.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -117.08 119.09 34.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.087 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.645 HD12 ' HB2' ' A' ' 44' ' ' LEU . 44.4 mt -77.63 169.42 18.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -89.36 -31.8 17.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -65.01 -32.88 74.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.64 41.7 0.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.429 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.645 ' HB2' HD12 ' A' ' 40' ' ' LEU . 8.0 mt -140.66 175.77 9.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -136.48 119.48 16.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.5 t -125.39 166.16 17.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 47' ' ' LEU . 13.6 tp -56.98 117.36 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.72 155.28 52.83 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.562 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.83 111.48 4.93 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 120.622 0.248 . . . . 0.0 111.024 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.713 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 54.4 Cg_exo -51.91 145.0 33.93 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.448 2.099 . . . . 0.0 112.361 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -70.02 157.52 37.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -84.57 -33.41 23.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.97 167.42 10.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.99 -64.72 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.58 83.21 6.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -132.74 155.4 48.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -101.22 149.07 18.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.62 157.69 55.27 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.566 2.178 . . . . 0.0 112.413 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.78 162.73 72.77 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.556 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 66.5 Cg_exo -49.96 -50.5 13.13 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.519 2.146 . . . . 0.0 112.693 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 38.1 Cg_endo -66.17 -24.46 51.54 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.149 1.899 . . . . 0.0 112.329 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -76.42 -30.99 57.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -69.98 141.78 52.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -124.57 164.16 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.23 118.49 26.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.516 ' HB2' ' CD1' ' A' ' 27' ' ' ILE . . . -80.68 154.32 27.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.063 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.792 ' HB ' ' HB3' ' A' ' 75' ' ' ALA . 21.5 t -141.85 99.04 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.732 ' HA ' HG22 ' A' ' 74' ' ' ILE . 12.6 mtpt -62.75 143.02 57.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.4 mt -133.44 -69.85 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.967 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.97 162.9 1.03 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 58.33 35.48 24.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.992 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.438 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 20.0 m 59.74 38.11 21.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -118.65 131.79 56.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.732 HG22 ' HA ' ' A' ' 68' ' ' LYS . 16.9 pt -126.58 156.89 37.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.792 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . . . -111.04 130.16 55.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.08 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.8 mt -94.23 141.76 28.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -129.07 128.85 44.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.772 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -78.58 155.31 29.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.51 -28.43 62.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.604 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -61.66 -35.51 78.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 121.67 37.19 0.68 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.523 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -137.83 164.25 29.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.343 . . . . 0.0 110.94 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -103.27 132.59 49.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.784 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.1 mt -60.55 111.69 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -128.0 135.84 8.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.488 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.3 pt -87.22 133.31 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.79 0.329 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -69.09 169.8 11.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.0 t -60.3 -31.42 70.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.8 -31.5 66.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 114.2 32.46 2.0 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.526 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 133' ' ' GLU . 4.5 tp -107.01 134.91 49.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.6 t -76.63 114.83 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.3 m -140.89 179.56 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.38 82.67 0.17 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -131.58 34.68 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 m -144.28 147.66 33.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -111.06 31.59 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -132.89 131.42 40.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.2 mt -77.72 78.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -87.71 175.88 45.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.35 -43.14 56.18 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.614 2.209 . . . . 0.0 112.244 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -70.0 -32.27 70.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.04 -28.95 63.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -58.51 157.87 8.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.424 ' CE3' ' CD2' ' A' ' 116' ' ' LEU . 96.2 m95 -137.52 -179.95 6.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -160.6 88.12 1.77 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.9 164.12 1.73 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.541 2.161 . . . . 0.0 112.235 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.4 t -143.07 159.18 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.504 ' HZ ' HD11 ' A' ' 23' ' ' ILE . 90.5 m-85 -151.65 122.36 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -142.92 125.8 16.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.95 29.39 18.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.49 -32.56 6.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.565 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -65.53 179.25 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.933 0.397 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.435 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 1.5 ptp -149.46 155.65 40.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -160.94 142.21 11.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.424 ' CD2' ' CE3' ' A' ' 105' ' ' TRP . 6.1 tp -96.49 129.51 43.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 tp -109.33 124.46 50.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.567 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -66.2 171.48 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.5 t -73.26 -7.75 52.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.328 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.567 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 38.8 p30 -96.01 25.14 4.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.67 0.271 . . . . 0.0 111.181 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 m 55.5 33.79 21.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 9.0 m -136.83 135.32 37.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.629 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 60.7 m-85 -68.78 169.25 11.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.761 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.612 HD12 ' HE2' ' A' ' 31' ' ' MET . 2.1 pt -100.43 158.57 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -176.47 137.89 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 21.5 p -78.25 168.86 19.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -115.2 172.33 7.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -84.24 -31.61 24.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.07 -47.85 26.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 139.48 44.51 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -148.25 100.77 3.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.445 HD13 HG23 ' A' ' 37' ' ' ILE . 11.4 mt -71.39 120.29 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.051 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.529 ' HB3' HD12 ' A' ' 91' ' ' LEU . 5.4 pt-20 -131.0 154.8 47.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.97 110.82 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.8 176.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -59.61 176.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.08 -30.97 71.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.962 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.39 118.05 5.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.629 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -105.09 107.57 18.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -96.7 177.11 32.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.429 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.14 -42.29 94.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 110.807 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.93 -35.71 77.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -26.22 68.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 26.1 mmt -56.06 116.04 2.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.434 HG22 ' HA ' ' A' ' 31' ' ' MET . 4.6 pt -105.89 179.97 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -132.19 106.57 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 2.0 mp -92.2 116.36 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -94.81 159.85 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 29.3 t -136.43 129.15 30.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.988 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' CYS . . . . . 0.407 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 29.9 p -108.66 32.21 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.566 ' O ' HG23 ' A' ' 10' ' ' ILE . 19.5 tt -115.17 114.4 46.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.064 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.9 t -104.55 101.37 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.76 -82.27 0.31 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.425 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.4 pt -139.26 31.46 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.425 ' CD1' HG13 ' A' ' 13' ' ' ILE . 75.3 m95 -138.72 114.73 10.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.828 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -103.52 132.51 49.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 m -67.86 131.53 45.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.734 HG21 HG12 ' A' ' 23' ' ' ILE . 11.6 m -77.61 167.07 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -121.41 -42.67 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -126.89 179.24 5.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.555 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 48.0 t80 -69.2 -34.54 75.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.23 -28.6 69.43 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.547 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.32 -32.95 49.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.734 HG12 HG21 ' A' ' 17' ' ' VAL . 35.0 mt -75.79 111.84 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.27 123.24 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.0 -157.44 19.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.435 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.4 m -63.6 112.43 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.582 HG22 ' OG ' ' A' ' 149' ' ' SER . 4.2 pt -127.52 173.21 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.54 168.11 16.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.3 mt -142.29 127.77 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -120.99 112.04 18.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.493 ' CE ' HD12 ' A' ' 124' ' ' ILE . 15.6 mtt -88.86 -55.01 3.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.31 179.11 7.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.798 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -78.08 83.08 4.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.4 -29.46 11.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.19 147.19 32.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -119.36 173.54 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 25.6 mt -77.36 115.27 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -98.66 124.76 43.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.0 147.39 25.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.067 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.1 mt -116.88 152.43 34.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -81.67 -28.65 33.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.057 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -56.12 -25.55 46.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.04 31.91 1.64 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.556 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mt -143.68 179.76 6.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 110.81 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -135.59 119.1 16.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.2 t -118.9 158.52 25.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.1 tp -75.7 121.95 23.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.37 169.36 54.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.441 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.15 143.07 64.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.661 0.267 . . . . 0.0 111.033 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -74.19 173.52 14.0 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.541 2.161 . . . . 0.0 112.316 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -109.18 145.31 36.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -74.22 -49.84 21.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -74.29 153.51 39.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.52 -64.79 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -69.04 83.7 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -146.01 121.38 10.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.03 156.56 43.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.528 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.23 164.16 36.02 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.518 2.146 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.92 161.54 78.1 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.549 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 59.0 Cg_exo -50.61 -49.96 15.12 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.563 2.176 . . . . 0.0 112.702 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 41.8 Cg_endo -67.48 -25.21 41.62 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.12 1.88 . . . . 0.0 112.229 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -77.1 -31.69 56.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -66.67 112.95 4.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.499 ' CE1' HD11 ' A' ' 84' ' ' LEU . 98.0 m-85 -99.52 177.2 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -138.43 118.45 13.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.6 134.59 34.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.7 t -127.79 124.69 63.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -63.79 153.02 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 75' ' ' ALA . 11.5 mt -140.58 -73.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 m 179.96 154.7 0.56 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 62.23 34.27 16.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.026 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.6 m 61.05 39.07 16.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.13 133.09 56.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.789 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.555 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 2.8 pt -124.35 139.89 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.065 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.531 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -94.05 128.11 40.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.7 ' HB3' HD12 ' A' ' 84' ' ' LEU . 15.5 mt -89.16 131.93 35.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -119.19 133.96 55.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.1 p -80.39 150.52 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.5 -30.7 68.84 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -60.96 -31.21 70.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.02 45.64 0.58 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.585 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -146.5 164.76 31.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.832 0.349 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -97.52 139.29 33.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.7 HD12 ' HB3' ' A' ' 76' ' ' LEU . 64.2 mt -79.31 108.41 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -116.32 152.29 17.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.546 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.442 HG22 HG22 ' A' ' 92' ' ' VAL . 12.3 pt -97.43 136.03 29.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 111.179 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -77.74 175.37 10.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 91.7 p -75.12 -39.52 60.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -28.74 69.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 115.5 29.48 2.47 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 tp -114.21 115.79 28.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.442 HG22 HG22 ' A' ' 86' ' ' ILE . 21.4 t -69.27 121.63 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.8 m -138.11 -179.98 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.36 102.52 0.51 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -172.68 82.23 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.37 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.0 m -154.34 -45.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.3 t70 62.61 34.81 14.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -164.83 148.44 8.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.8 mt -76.08 84.88 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.68 166.16 23.74 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.18 -37.01 68.98 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.587 2.191 . . . . 0.0 112.349 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.5 mtt85 -74.46 -31.67 62.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 1.2 mp0 -71.92 -12.36 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.288 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -74.45 150.77 39.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.897 0.38 . . . . 0.0 111.03 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.527 ' CE3' HD23 ' A' ' 116' ' ' LEU . 73.6 m95 -140.51 149.31 42.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.726 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -127.76 97.53 29.95 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.072 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.73 152.31 17.3 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.397 2.065 . . . . 0.0 112.132 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.4 t -136.61 154.66 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.227 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.437 ' CD2' ' HB3' ' A' ' 114' ' ' MET . 29.4 m-85 -144.47 122.24 11.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.768 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.34 133.51 22.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.986 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 58.41 27.15 15.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.059 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.33 -33.47 5.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.612 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -77.3 179.98 6.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.437 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 3.1 ptt? -147.48 141.19 25.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -138.94 117.85 12.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.527 HD23 ' CE3' ' A' ' 105' ' ' TRP . 0.3 OUTLIER -60.18 133.96 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.4 tp -110.92 123.55 50.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.421 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -69.67 167.93 15.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.1 t -67.06 -13.31 61.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.192 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -93.89 21.01 7.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.236 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.1 m 55.36 36.26 26.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.805 0.336 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 44.6 m -140.36 127.15 20.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -67.11 149.23 50.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.493 HD12 ' CE ' ' A' ' 31' ' ' MET . 45.0 pt -89.44 144.84 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -149.01 128.55 13.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 20.3 p -79.41 154.87 28.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -111.7 166.36 11.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.42 -33.12 62.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.69 -29.57 69.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 114.14 28.92 2.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.546 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -123.7 116.23 22.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.757 0.313 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 26.9 mt -93.7 124.13 46.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.3 179.88 6.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -93.88 106.47 18.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.201 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 170.83 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -59.12 172.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -60.33 -40.79 91.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 16.6 p -67.16 102.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -83.46 106.53 15.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -65.51 176.89 13.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.42 -40.52 91.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -71.91 -31.1 66.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -25.33 64.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 34.7 mmt -55.57 145.42 23.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.029 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.48 HG22 ' HA ' ' A' ' 31' ' ' MET . 3.1 pt -132.64 175.18 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -132.14 109.52 10.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 26.2 mt -91.44 119.96 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 29.4 mtt-85 -113.72 157.87 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.582 ' OG ' HG22 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -133.63 147.12 51.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 26.0 p -109.78 35.03 3.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.936 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.883 0.373 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.471 ' O ' HG23 ' A' ' 10' ' ' ILE . 18.4 tt -138.89 122.12 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t -100.17 91.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.41 -82.02 0.7 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.387 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.425 HG13 ' CD1' ' A' ' 14' ' ' TRP . 46.0 pt -136.28 29.29 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.795 0.331 . . . . 0.0 111.089 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.425 ' CD1' HG13 ' A' ' 13' ' ' ILE . 46.3 m95 -133.53 120.76 21.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -117.15 135.68 53.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 m -69.47 141.03 54.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.414 HG21 HG12 ' A' ' 23' ' ' ILE . 30.7 m -78.0 177.02 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.089 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.7 m -124.57 -43.94 2.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -130.42 172.62 11.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.548 ' CE1' HG23 ' A' ' 74' ' ' ILE . 76.5 t80 -57.98 -42.4 85.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.008 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.59 -20.64 52.51 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.705 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.17 -32.43 38.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.741 0.305 . . . . 0.0 110.952 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 20' ' ' PHE . 18.3 mt -70.72 124.79 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.076 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.9 t -177.43 150.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.99 -133.95 17.74 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.6 m -90.75 127.45 36.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.482 HD13 ' CG2' ' A' ' 147' ' ' ILE . 2.3 pp -141.15 134.98 31.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.018 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.26 148.01 27.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 30' ' ' GLU . 4.8 mt -116.96 155.96 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.448 ' N ' HG22 ' A' ' 29' ' ' ILE . 17.3 tt0 -145.1 116.7 8.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.786 ' HA ' HG22 ' A' ' 145' ' ' ILE . 45.4 mtt -86.35 -52.68 5.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.475 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 4.7 t0 -89.32 176.22 7.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.797 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -83.0 81.72 8.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.41 -28.2 7.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.437 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . . . -87.47 139.03 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -121.77 167.55 12.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.24 128.39 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -115.04 139.82 49.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.601 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -99.49 134.98 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.551 HD13 HD21 ' A' ' 42' ' ' ASN . 13.6 mt -93.66 156.3 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -31.48 72.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.551 HD21 HD13 ' A' ' 40' ' ' LEU . 19.0 p30 -70.41 -31.15 68.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 133.46 -26.77 3.47 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.39 179.95 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.854 0.359 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.601 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 25.0 m-85 -141.91 127.83 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 t -125.08 156.39 38.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.464 HD13 ' CB ' ' A' ' 126' ' ' CYS . 12.6 tp -72.51 114.26 10.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.0 149.56 51.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.446 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.41 138.16 96.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.5 0.19 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.55 157.97 8.67 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.437 2.092 . . . . 0.0 112.303 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -82.34 162.22 22.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -71.71 -74.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.41 158.99 31.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.99 -31.32 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -104.29 85.09 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -147.51 142.93 27.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.74 152.61 35.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.92 155.8 57.22 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.526 2.151 . . . . 0.0 112.347 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.404 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . 46.3 m -76.69 162.37 70.78 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.834 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.489 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 52.0 Cg_exo -53.83 -45.13 43.31 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.498 2.132 . . . . 0.0 112.735 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 60' ' ' PRO . 27.9 Cg_exo -61.46 -29.99 86.03 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.427 2.085 . . . . 0.0 112.026 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 19.6 mt-10 -81.91 -29.44 32.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -67.7 143.87 55.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' A' ' 62' ' ' GLU . 96.8 m-85 -134.51 150.13 50.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -103.12 124.76 49.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.447 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -93.76 161.54 14.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.41 ' HB ' ' HB3' ' A' ' 75' ' ' ALA . 21.6 t -152.15 109.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.787 ' HA ' HG22 ' A' ' 74' ' ' ILE . 6.1 mtpm? -63.08 128.14 34.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.6 mt -112.15 -76.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.8 p -179.68 154.71 0.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 59.75 41.07 18.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m 62.13 31.49 17.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -111.21 125.85 54.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.787 HG22 ' HA ' ' A' ' 68' ' ' LYS . 18.5 pt -129.31 144.37 38.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.047 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.41 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . . . -86.72 176.59 7.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.6 mt -145.84 130.72 18.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -123.38 132.35 53.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.52 158.66 25.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.74 -28.78 66.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.407 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -62.09 -30.36 70.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.39 29.71 2.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.59 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -124.75 176.06 6.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.736 0.303 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -114.66 129.39 56.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.532 HD21 ' CZ ' ' A' ' 45' ' ' PHE . 25.3 mt -65.33 139.53 58.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.43 159.42 28.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.596 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 pt -108.19 149.67 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -91.22 162.18 14.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -31.8 70.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.3 -43.98 80.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 135.0 48.72 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.62 159.28 42.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.9 t -109.47 102.91 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.0 m -130.15 137.64 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -102.54 79.96 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.571 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -144.44 79.3 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.794 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.52 -44.71 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.9 t0 67.14 33.04 5.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.959 0.409 . . . . 0.0 110.813 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -168.05 141.67 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.995 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 mt -70.42 98.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -114.74 -178.18 18.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.54 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.96 -44.15 10.47 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.602 2.202 . . . . 0.0 112.182 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -62.68 -29.88 70.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.412 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 11.6 mp0 -78.67 -19.9 51.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.216 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -68.03 148.65 50.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.825 0.345 . . . . 0.0 111.091 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.424 ' CE3' ' HA ' ' A' ' 118' ' ' ALA . 81.8 m95 -134.19 -179.92 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.776 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -155.83 92.65 2.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.993 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.31 116.42 4.5 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.537 2.158 . . . . 0.0 112.245 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.18 145.12 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -119.85 129.11 54.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.82 112.39 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 59.56 36.18 22.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.54 -33.4 5.7 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -64.08 178.57 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 9.0 ptp -154.53 151.38 28.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.84 143.04 21.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.444 HD23 HG21 ' A' ' 124' ' ' ILE . 5.0 tp -85.23 113.75 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.3 tp -98.06 130.78 44.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.424 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -83.05 169.4 15.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.7 t -68.81 -11.28 60.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.229 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -94.75 22.39 6.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.674 0.273 . . . . 0.0 111.288 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.7 m 55.28 36.49 27.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.228 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 4.9 m -138.75 130.09 27.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -69.05 159.02 33.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.499 ' HB ' ' HE1' ' A' ' 31' ' ' MET . 44.7 pt -77.52 155.81 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.23 141.5 16.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.464 ' CB ' HD13 ' A' ' 47' ' ' LEU . 11.1 p -105.04 118.75 37.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -78.15 168.84 19.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -78.2 -39.17 41.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.78 -30.36 71.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 117.06 34.24 1.26 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -124.39 100.5 6.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.788 0.328 . . . . 0.0 110.949 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 126' ' ' CYS . 33.8 mm -69.96 108.83 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.058 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -120.73 154.58 35.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -83.43 110.9 18.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.29 174.1 8.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -60.21 176.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -63.84 -29.53 70.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.4 p -57.74 100.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.68 102.38 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -87.95 179.99 47.21 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.54 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -63.99 -39.28 93.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.787 0.327 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -70.99 -37.25 72.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -63.43 -26.92 68.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.0 mmt -56.45 135.52 54.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.786 HG22 ' HA ' ' A' ' 31' ' ' MET . 1.4 pt -135.31 -179.98 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -144.62 89.81 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.619 HG13 HD12 ' A' ' 145' ' ' ILE . 7.2 mt -66.72 106.62 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -85.35 173.69 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.3 t -151.63 131.9 13.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' CYS . . . . . 0.412 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 9.9 p -105.66 31.61 4.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.79 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.931 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.805 0.335 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.696 HD13 ' HB3' ' A' ' 15' ' ' TRP . 9.3 tp -100.82 127.65 53.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.98 94.36 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.47 -72.77 0.46 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.361 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.405 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.0 pp -149.52 29.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.417 ' CE3' ' HB3' ' A' ' 150' ' ' CYS . 94.2 m95 -128.7 96.29 4.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.788 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.696 ' HB3' HD13 ' A' ' 10' ' ' ILE . 52.0 p-90 -94.86 122.37 37.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.86 163.4 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -107.45 132.46 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.225 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m -91.19 -37.35 13.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -132.01 173.29 11.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.458 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 79.7 t80 -72.77 -34.58 67.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.039 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.37 -25.07 54.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.687 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.3 -30.11 24.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.018 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mt -64.52 117.24 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 p -177.26 140.14 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.753 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.0 -146.57 19.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.2 m -80.32 131.85 35.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.502 HG22 ' HA ' ' A' ' 149' ' ' SER . 4.5 pt -143.57 173.97 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.64 153.16 51.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.487 HD11 ' CD2' ' A' ' 76' ' ' LEU . 7.7 mt -122.8 126.3 73.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -115.97 118.83 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.4 mtp -95.27 -48.63 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.657 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 0.5 OUTLIER -97.88 171.31 8.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -75.01 81.93 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.76 -28.54 9.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.554 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.657 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . . . -84.59 134.2 34.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.813 0.34 . . . . 0.0 111.132 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -113.87 163.6 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.446 HG23 ' CD1' ' A' ' 132' ' ' ILE . 33.7 mt -70.71 122.66 23.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -103.94 135.96 44.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.562 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -100.81 139.56 36.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.4 mt -107.64 151.67 25.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -73.89 -31.08 62.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -58.9 -26.27 64.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.27 28.62 2.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -133.36 179.89 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.779 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.658 ' HB3' HD12 ' A' ' 132' ' ' ILE . 33.7 m-85 -141.61 139.27 33.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.6 t -132.7 179.95 5.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.4 tp -95.0 107.53 19.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.31 175.81 3.08 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.443 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.92 145.19 29.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.715 0.293 . . . . 0.0 111.087 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.38 135.12 21.87 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.512 2.141 . . . . 0.0 112.326 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -67.18 164.33 18.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.77 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.7 mtt-85 -73.97 -72.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -67.41 172.69 4.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.3 p -89.0 -34.43 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -89.57 79.84 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -151.05 122.43 7.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.787 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.41 156.11 42.66 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.599 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.58 151.92 64.74 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.556 2.171 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.419 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . 46.2 m -63.82 162.98 24.54 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.749 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.504 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 49.0 Cg_exo -54.38 -45.19 42.86 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.5 2.133 . . . . 0.0 112.651 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 60' ' ' PRO . 37.5 Cg_exo -59.6 -27.74 85.71 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.552 2.168 . . . . 0.0 112.086 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.418 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 7.1 mt-10 -85.86 -28.42 24.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.02 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -60.62 123.97 19.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.428 ' CD1' ' HA ' ' A' ' 78' ' ' SER . 85.1 m-85 -111.27 171.14 7.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.1 m -130.51 129.08 42.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.458 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -96.71 145.57 25.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.68 109.75 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.768 ' HA ' HG22 ' A' ' 74' ' ' ILE . 1.8 mtpm? -62.63 143.01 57.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.4 mt -125.99 -68.03 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.016 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.9 p 179.92 152.06 0.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 t0 58.61 39.45 24.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.99 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.433 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 2.2 m 60.66 37.3 19.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.4 mmm-85 -117.33 110.17 17.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.768 HG22 ' HA ' ' A' ' 68' ' ' LYS . 16.3 pt -105.81 161.16 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -112.35 134.91 53.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.487 ' CD2' HD11 ' A' ' 29' ' ' ILE . 12.3 mt -99.59 144.28 28.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.442 ' HE3' ' CZ ' ' A' ' 83' ' ' TYR . 5.8 ttmm -135.96 128.83 31.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.428 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . 3.3 p -68.22 155.07 40.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.13 -27.84 60.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.552 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -66.02 -43.0 88.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.1 45.1 0.17 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.553 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -141.68 152.85 44.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.837 0.351 . . . . 0.0 110.826 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.442 ' CZ ' ' HE3' ' A' ' 77' ' ' LYS . 97.8 m-85 -89.29 132.63 34.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.441 HD21 ' CE2' ' A' ' 45' ' ' PHE . 42.6 mt -66.49 97.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -112.15 131.49 10.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.06 127.3 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -59.55 160.07 7.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -36.49 83.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -62.83 -44.82 95.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.53 44.18 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.39 152.8 47.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.812 0.339 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.489 HG21 HG22 ' A' ' 132' ' ' ILE . 21.6 t -95.4 117.1 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.1 m -137.88 175.42 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.92 93.02 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.87 33.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.2 134.48 46.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -98.69 31.01 3.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.14 166.64 23.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.5 mt -104.11 81.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -91.56 -165.78 39.76 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.0 -40.71 4.64 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.636 2.224 . . . . 0.0 112.283 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 41.1 mtt85 -66.72 -30.82 71.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 25.2 mp0 -75.04 -26.94 59.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -56.49 155.21 7.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.405 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 97.6 m95 -142.87 179.99 6.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -162.24 96.15 1.21 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.84 168.03 21.46 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.436 2.091 . . . . 0.0 112.247 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.4 t -148.03 158.9 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.482 ' N ' HG12 ' A' ' 108' ' ' VAL . 96.9 m-85 -152.76 120.11 5.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -144.7 124.59 13.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 59.39 28.81 18.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.8 -32.08 6.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -65.59 172.5 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.441 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 3.4 ptp -153.39 150.62 29.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.989 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.32 155.05 35.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.156 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.7 tp -107.05 130.52 54.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 31.1 tp -108.39 128.28 54.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 122' ' ' CYS . . . -73.33 165.54 24.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.7 t -67.72 -14.15 62.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.289 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 56.5 p30 -96.25 24.94 5.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.778 0.323 . . . . 0.0 111.198 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.8 p 57.37 41.38 26.5 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 118' ' ' ALA . 26.0 m -146.86 122.44 10.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -59.92 167.61 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 39.8 pt -94.61 164.97 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -176.52 137.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 20.3 p -94.11 146.48 23.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -90.52 175.51 7.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -82.01 -31.76 30.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.9 -33.94 51.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 124.73 40.78 0.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.528 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -127.29 99.85 5.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.658 HD12 ' HB3' ' A' ' 45' ' ' PHE . 33.4 mt -74.62 117.38 18.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.145 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.92 168.87 18.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.416 ' HB1' ' HB2' ' A' ' 122' ' ' CYS . . . -82.2 123.72 29.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -83.74 165.0 19.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -51.3 168.68 0.06 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -59.64 -36.7 76.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 30.0 p -58.87 102.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.499 ' HB1' ' CE ' ' A' ' 144' ' ' MET . . . -78.17 87.06 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -61.7 179.95 3.67 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.8 -37.7 73.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.793 0.33 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -72.62 -31.62 65.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -28.34 68.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.499 ' CE ' ' HB1' ' A' ' 139' ' ' ALA . 32.7 mmt -57.09 137.61 55.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.994 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 8.3 pt -119.07 -179.99 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -135.07 95.29 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 8.0 mt -80.99 128.1 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -124.29 145.29 49.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.502 ' HA ' HG22 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -107.57 162.38 14.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 150' ' ' CYS . . . . . 0.417 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 26.9 p -138.5 35.77 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 t0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.803 0.335 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 tt -126.6 136.33 61.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.6 96.71 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.74 -85.73 0.11 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.424 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.2 pt -130.91 30.75 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.428 ' CE2' ' HD2' ' A' ' 58' ' ' PRO . 84.5 m95 -135.02 143.88 47.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.518 ' HZ2' ' HB3' ' A' ' 151' ' ' ALA . 56.9 p-90 -139.58 135.53 33.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.413 HG22 ' HE1' ' A' ' 114' ' ' MET . 0.2 OUTLIER -70.34 143.24 52.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.546 HG11 HG12 ' A' ' 23' ' ' ILE . 30.8 m -81.41 170.03 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.2 p -127.14 -45.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -129.84 173.6 10.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.636 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 26.3 t80 -59.72 -44.99 93.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.44 -26.24 51.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.629 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -74.08 -34.86 64.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.546 HG12 HG11 ' A' ' 17' ' ' VAL . 30.0 mt -75.28 113.06 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.079 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.06 100.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.43 -147.73 16.95 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.425 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.9 m -78.17 126.98 31.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.696 HD13 ' H ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -141.58 147.82 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.34 133.49 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -109.27 127.3 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.218 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.416 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 10.9 tt0 -105.56 108.79 20.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.634 ' HE3' HD12 ' A' ' 124' ' ' ILE . 8.9 mtt -80.85 -67.71 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.3 178.06 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.97 84.56 4.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.9 -29.38 10.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.406 ' HB2' ' HB3' ' A' ' 50' ' ' PRO . . . -83.73 153.39 24.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.819 0.342 . . . . 0.0 111.078 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.416 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 71.9 m-85 -124.11 178.89 5.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.736 HG23 HD13 ' A' ' 132' ' ' ILE . 20.9 mt -81.69 123.04 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -107.72 149.43 28.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.64 159.32 16.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 44' ' ' LEU . 89.7 mt -128.01 169.23 14.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.949 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.72 -33.43 15.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.949 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -59.93 -29.42 68.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.07 35.17 0.97 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.528 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.467 ' HB2' HD12 ' A' ' 40' ' ' LEU . 5.3 mt -137.46 172.48 12.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.466 ' HB3' HD12 ' A' ' 132' ' ' ILE . 17.3 m-85 -134.81 117.11 15.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.987 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -112.7 169.85 8.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.0 tp -73.6 115.55 13.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.48 168.83 6.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.64 124.26 90.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.541 0.21 . . . . 0.0 111.052 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.406 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.59 131.86 22.38 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.402 2.068 . . . . 0.0 112.322 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -81.62 120.0 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -46.45 89.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -72.48 143.62 48.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.08 -32.01 31.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.09 86.79 4.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -159.39 123.04 3.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.09 147.38 33.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.428 ' HD2' ' CE2' ' A' ' 14' ' ' TRP . 50.7 Cg_exo -53.31 155.21 12.83 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.514 2.143 . . . . 0.0 112.285 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.9 m -72.83 160.91 81.72 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.56 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 54.1 Cg_exo -50.91 -48.71 19.63 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.571 2.181 . . . . 0.0 112.653 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 52.7 Cg_endo -69.56 -19.89 36.48 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.149 1.899 . . . . 0.0 112.467 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -83.24 -30.89 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.957 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -62.11 130.91 47.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -115.18 159.24 21.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.15 124.8 45.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.5 155.16 24.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.019 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.01 113.16 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -64.57 148.06 51.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.788 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.8 mt -139.71 -72.06 0.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 m 179.95 153.78 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 58.66 34.36 23.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 68.9 m 61.16 31.43 19.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -108.87 109.11 20.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.747 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.636 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 23.3 pt -102.24 170.13 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.283 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.56 124.87 43.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.719 ' HB3' HD12 ' A' ' 84' ' ' LEU . 17.3 mt -84.29 117.64 23.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -104.6 118.95 37.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 94.9 p -60.31 167.15 2.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.64 -39.14 94.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.547 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -60.2 -30.46 69.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.78 0.324 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.4 30.5 2.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -118.0 146.46 44.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -82.42 132.97 35.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.719 HD12 ' HB3' ' A' ' 76' ' ' LEU . 73.1 mt -70.83 120.7 16.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -131.16 134.14 7.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.519 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 pt -76.73 130.68 36.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -64.59 175.22 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 43.0 t -60.3 -41.19 92.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.21 -45.57 55.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.86 44.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.533 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.42 137.66 48.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.0 t -76.02 83.52 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.0 m -104.81 167.53 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -137.34 86.72 0.23 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -156.46 79.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.37 -47.69 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.1 t0 60.28 31.71 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -154.85 143.36 20.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.5 mm -71.04 110.55 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.204 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -131.87 168.22 22.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.6 -48.47 21.7 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.641 2.227 . . . . 0.0 112.304 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -64.99 -35.77 82.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 1.4 mp0 -74.37 -27.0 60.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.066 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -58.9 138.13 57.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.424 ' CE3' ' HA ' ' A' ' 118' ' ' ALA . 97.9 m95 -122.36 -179.99 4.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -165.26 95.1 0.86 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.968 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.09 145.47 61.13 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.477 2.118 . . . . 0.0 112.257 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.5 t -124.21 157.0 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.077 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.448 ' N ' HG12 ' A' ' 108' ' ' VAL . 72.3 m-85 -140.02 139.44 35.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.99 106.57 3.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 59.63 36.72 22.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.986 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.78 -39.53 2.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.466 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -59.54 167.05 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.767 0.318 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.413 ' HE1' HG22 ' A' ' 16' ' ' THR . 2.8 ptp -154.09 155.2 34.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -160.95 118.25 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.8 tp -64.46 117.69 7.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.407 HD13 ' CE1' ' A' ' 123' ' ' PHE . 18.8 tp -100.25 131.51 46.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.424 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -82.44 171.15 14.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.2 t -67.52 -12.13 59.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -94.13 22.74 5.56 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.727 0.298 . . . . 0.0 111.165 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.85 32.19 19.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.895 0.378 . . . . 0.0 111.102 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.5 m -138.08 132.56 32.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.407 ' CE1' HD13 ' A' ' 117' ' ' LEU . 75.0 m-85 -67.44 -179.99 1.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.634 HD12 ' HE3' ' A' ' 31' ' ' MET . 3.2 pt -110.86 145.65 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -156.45 143.7 19.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 20.7 p -93.54 156.3 16.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -105.01 176.08 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -86.86 -31.53 20.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.39 -34.66 68.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 124.26 46.2 0.26 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.437 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -136.92 110.13 7.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.736 HD13 HG23 ' A' ' 37' ' ' ILE . 32.8 mt -89.38 111.45 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.055 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -133.51 173.7 11.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -81.91 119.07 23.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.61 167.46 20.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -58.4 171.51 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -59.54 -33.57 71.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 82.2 p -64.63 120.02 11.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -92.14 116.66 29.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -95.33 175.18 33.02 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.446 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -37.01 85.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.842 0.353 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.52 -32.59 64.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.4 -25.99 66.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 11.6 mmt -55.54 120.82 7.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.033 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.502 HD12 HG13 ' A' ' 147' ' ' ILE . 2.0 pt -108.9 164.47 5.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -125.17 88.1 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.502 HG13 HD12 ' A' ' 145' ' ' ILE . 10.0 mt -68.77 93.12 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -85.6 147.97 26.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.491 ' OG ' HG22 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -126.87 151.37 48.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 25.3 p -117.64 36.21 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.518 ' HB3' ' HZ2' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 t0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.907 0.384 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -147.7 133.36 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.1 95.8 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.63 -83.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.534 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.408 HG13 ' CD1' ' A' ' 14' ' ' TRP . 0.9 OUTLIER -132.47 30.92 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 111.062 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.416 ' CD2' ' HB3' ' A' ' 150' ' ' CYS . 56.7 m95 -134.93 134.92 41.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 37.1 p-90 -120.37 129.66 54.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.3 m -66.38 140.52 58.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.2 m -79.42 149.58 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.4 t -108.4 -32.84 7.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -132.12 179.62 5.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.6 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 27.0 t80 -74.66 -37.91 62.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.17 -28.37 64.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -75.22 -28.94 60.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.931 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.495 HG21 HD13 ' A' ' 74' ' ' ILE . 45.9 mt -70.23 102.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.1 m -164.06 135.8 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.45 -154.93 30.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 m -67.3 130.69 43.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.534 HG22 ' HB2' ' A' ' 149' ' ' SER . 3.9 pt -145.23 149.45 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.42 147.78 40.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.0 mt -118.52 149.72 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -134.72 101.04 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.494 ' HA ' HG22 ' A' ' 145' ' ' ILE . 11.6 mtt -77.55 -47.48 19.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.622 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 3.4 t70 -98.51 178.17 5.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.56 86.85 6.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.67 -26.72 18.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.55 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.622 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . . . -85.47 151.53 23.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 111.121 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -126.0 169.78 12.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.0 mt -74.3 113.03 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -99.93 141.83 32.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.87 134.09 49.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 40' ' ' LEU . 26.9 mt -88.44 143.35 27.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.92 -30.47 67.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -65.1 -38.51 90.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.82 -26.1 2.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.589 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mt -76.41 179.04 6.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.791 0.329 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CE2' HD21 ' A' ' 84' ' ' LEU . 18.5 m-85 -132.92 141.36 48.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.791 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -140.1 162.6 34.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.9 tp -66.85 122.53 17.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.16 179.06 32.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.83 120.0 70.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.462 0.173 . . . . 0.0 111.077 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.61 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 54.8 Cg_exo -52.23 146.96 29.46 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.417 2.078 . . . . 0.0 112.323 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -78.66 140.0 38.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -67.06 -34.59 78.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.83 156.55 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.43 -51.18 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -91.2 79.94 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -135.07 176.12 8.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -113.14 151.0 18.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.09 160.67 48.78 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.527 2.152 . . . . 0.0 112.324 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 m -74.55 162.6 72.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.531 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 51.9 Cg_exo -52.04 -48.0 23.81 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.604 2.203 . . . . 0.0 112.624 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 59.4 Cg_endo -72.42 -24.42 19.3 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.123 1.882 . . . . 0.0 112.385 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 20.7 mt-10 -76.92 -31.25 56.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -65.0 134.47 53.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.402 ' CE2' ' O ' ' A' ' 62' ' ' GLU . 99.4 m-85 -119.99 169.1 10.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.22 132.37 48.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.12 154.46 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -152.27 112.83 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.187 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -66.76 137.38 56.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.2 mt -122.28 -68.0 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.993 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.93 155.33 0.59 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 57.84 34.79 24.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.006 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 2.8 m 60.42 44.42 12.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -118.41 116.92 27.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.6 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 3.2 pt -110.09 142.31 22.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.36 123.41 46.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.9 mt -79.39 135.9 36.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -121.5 121.03 36.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 76.2 p -68.95 155.13 40.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.47 -29.06 65.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.555 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -66.04 -37.04 84.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.801 0.334 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 124.39 40.61 0.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -135.86 164.37 28.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.435 ' CZ ' HD11 ' A' ' 99' ' ' ILE . 37.8 m-85 -102.72 125.18 49.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.57 HD21 ' CE2' ' A' ' 45' ' ' PHE . 21.7 mt -64.46 127.64 32.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -144.51 153.15 24.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.574 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.604 HD13 ' ND2' ' A' ' 120' ' ' ASN . 2.9 pt -87.46 144.57 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.771 0.319 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -83.63 175.88 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -31.46 60.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.5 -45.94 42.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.0 59.64 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.546 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.5 tp -144.41 149.07 35.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.864 0.364 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.7 t -92.7 96.8 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.6 m -110.42 177.99 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.06 93.58 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.88 38.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.374 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.77 122.12 25.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.74 -33.55 74.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.38 178.5 5.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.064 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.435 HD11 ' CZ ' ' A' ' 83' ' ' TYR . 26.7 mt -135.28 85.28 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.175 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -91.72 -177.8 42.5 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.438 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.31 -43.39 54.18 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.568 2.179 . . . . 0.0 112.307 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -30.89 69.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.411 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 2.2 mp0 -82.05 -23.34 35.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -65.09 153.99 39.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 111.058 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.411 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 72.5 m95 -142.29 137.56 30.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.722 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.13 101.48 41.46 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.029 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.56 171.39 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.402 2.068 . . . . 0.0 112.229 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.8 t -152.63 96.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.204 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.495 ' HZ ' HD11 ' A' ' 23' ' ' ILE . 51.7 m-85 -99.95 120.77 40.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.795 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -142.97 121.66 12.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.022 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 57.93 31.64 20.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.51 -29.43 10.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.431 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -59.66 -179.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 6.0 ptm -168.59 129.08 1.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -143.91 153.33 42.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.049 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 tp -101.35 112.77 25.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.4 tp -94.62 123.36 38.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.51 168.95 17.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.7 t -71.93 -9.7 58.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.381 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.604 ' ND2' HD13 ' A' ' 86' ' ' ILE . 46.0 p30 -95.8 23.95 5.82 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.748 0.309 . . . . 0.0 111.201 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.88 37.69 26.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.088 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.546 ' HB2' ' HB1' ' A' ' 134' ' ' ALA . 21.0 m -146.69 129.61 16.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.861 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -65.99 179.59 0.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 20.2 pt -105.29 139.97 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.213 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.15 134.8 14.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 21.6 p -91.43 155.95 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -105.16 167.23 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -76.71 -31.71 57.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.63 -44.99 47.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 135.35 44.3 0.1 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.481 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -136.78 99.07 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.9 mt -76.37 107.03 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -116.94 173.45 6.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.546 ' HB1' ' HB2' ' A' ' 122' ' ' CYS . . . -94.16 102.23 14.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.96 163.47 12.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -53.13 172.85 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.164 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -59.34 -32.51 70.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 68.0 p -60.38 97.33 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -79.57 98.53 6.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -75.35 177.64 48.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -31.52 72.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -83.6 -32.01 25.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.75 -29.48 70.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.2 mmt -58.53 159.14 6.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.494 HG22 ' HA ' ' A' ' 31' ' ' MET . 2.8 pt -136.06 174.22 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.211 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -133.18 99.85 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.485 HG13 HD12 ' A' ' 145' ' ' ILE . 4.6 mt -82.78 128.3 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 31.6 mtt-85 -123.37 156.01 36.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.534 ' HB2' HG22 ' A' ' 27' ' ' ILE . 28.2 t -131.28 133.87 45.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' CYS . . . . . 0.416 ' HB3' ' CD2' ' A' ' 14' ' ' TRP . 26.4 p -102.88 31.74 4.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.057 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.867 0.365 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.411 HD13 ' HB3' ' A' ' 15' ' ' TRP . 8.5 tp -141.35 145.38 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.17 89.56 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.1 -72.2 0.42 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.419 HG13 ' CD1' ' A' ' 14' ' ' TRP . 7.1 pt -150.73 30.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 111.124 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.433 ' CZ2' ' HD2' ' A' ' 58' ' ' PRO . 86.4 m95 -132.61 90.49 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.411 ' HB3' HD13 ' A' ' 10' ' ' ILE . 56.2 p-90 -85.35 135.84 33.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.17 139.22 48.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.4 m -75.98 174.03 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.6 m -128.71 -45.91 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -126.44 -178.29 4.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.733 ' HA ' HD12 ' A' ' 23' ' ' ILE . 70.3 t80 -69.22 -41.84 76.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.28 -27.69 63.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.583 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -75.99 -31.28 58.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.733 HD12 ' HA ' ' A' ' 20' ' ' PHE . 14.4 mt -72.47 107.15 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.056 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.9 m -164.42 138.28 5.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.43 -158.77 29.06 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.576 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.9 m -71.16 120.2 16.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.469 HG22 ' HA ' ' A' ' 149' ' ' SER . 39.4 pt -137.97 145.92 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.55 162.15 14.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.47 HD11 HD11 ' A' ' 76' ' ' LEU . 21.3 mt -134.79 135.79 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.159 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -116.9 114.47 23.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 49.1 mtt -82.55 -50.26 8.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.506 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 0.6 OUTLIER -104.7 -179.97 4.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.66 81.3 1.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.16 -27.29 16.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.506 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . . . -74.8 133.47 41.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.751 0.31 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -117.73 148.87 41.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.46 HG23 ' CD1' ' A' ' 132' ' ' ILE . 3.8 mt -60.92 97.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -78.99 143.3 35.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.88 134.27 50.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.3 mt -94.5 144.82 25.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.76 -30.21 67.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -67.74 -38.18 83.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.47 -23.24 2.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.538 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.08 168.72 18.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.656 ' HB3' HD12 ' A' ' 132' ' ' ILE . 35.2 m-85 -131.1 127.84 38.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 t -124.21 168.81 12.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.667 HD13 ' SG ' ' A' ' 126' ' ' CYS . 15.4 tp -73.62 110.15 7.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.06 151.89 52.59 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.463 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.32 148.94 97.65 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.697 0.284 . . . . 0.0 111.055 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.86 147.88 56.73 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.585 2.19 . . . . 0.0 112.316 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -74.16 146.89 43.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -53.53 46.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -91.51 177.79 6.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.62 -31.14 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.68 91.67 4.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -159.44 146.42 16.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.775 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.51 144.4 19.03 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.433 ' HD2' ' CZ2' ' A' ' 14' ' ' TRP . 50.8 Cg_exo -53.84 163.56 2.93 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.49 2.127 . . . . 0.0 112.327 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.6 p -68.04 163.29 52.24 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.8 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.533 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 52.2 Cg_exo -51.51 -47.95 23.67 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.517 2.145 . . . . 0.0 112.67 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 62.3 Cg_endo -73.4 -24.0 16.9 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.083 1.855 . . . . 0.0 112.397 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -72.4 -38.39 68.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -61.48 104.29 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.478 ' HB3' HD22 ' A' ' 76' ' ' LEU . 93.7 m-85 -89.31 149.85 22.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.35 114.03 27.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.94 151.44 31.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.23 113.42 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.488 ' HA ' HG22 ' A' ' 74' ' ' ILE . 1.9 mtpm? -72.04 148.4 45.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mt -133.55 -67.58 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 51.2 p -180.0 160.53 0.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.4 t0 59.42 31.07 20.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.978 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.418 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 0.8 OUTLIER 60.61 36.76 19.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -116.46 112.78 21.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.488 HG22 ' HA ' ' A' ' 68' ' ' LYS . 17.4 pt -103.96 164.35 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.22 135.34 52.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.478 HD22 ' HB3' ' A' ' 64' ' ' PHE . 26.7 mt -96.13 149.03 22.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.3 tttt -134.26 113.45 11.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 p -60.01 153.01 22.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.992 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.67 -27.66 68.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.544 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.19 -30.69 68.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 110.945 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.61 35.94 1.03 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.424 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -136.37 173.03 12.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -112.73 128.26 56.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.573 HD21 ' CE2' ' A' ' 45' ' ' PHE . 38.4 mt -60.07 121.54 12.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -135.43 148.02 19.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.549 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 pt -101.41 128.56 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 111.109 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -66.89 171.09 5.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.05 -33.68 73.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -67.42 -31.34 71.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.18 33.5 1.48 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.416 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.9 tp -110.63 148.29 32.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.651 HG21 HG22 ' A' ' 132' ' ' ILE . 21.6 t -89.36 117.19 32.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.2 m -139.34 178.49 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.214 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -163.72 106.52 0.28 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -157.88 31.27 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 t -120.56 132.75 55.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -98.48 31.0 2.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -156.41 164.03 38.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.6 mm -81.37 144.87 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.06 -172.17 22.48 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.449 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.02 -35.21 9.3 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.585 2.19 . . . . 0.0 112.283 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -75.69 -33.69 60.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.409 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 32.9 mp0 -76.39 -8.54 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.341 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -73.31 135.33 44.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.797 0.332 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.409 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 87.0 m95 -128.8 170.77 12.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -154.08 92.5 3.04 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -51.31 148.63 18.58 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.562 2.175 . . . . 0.0 112.375 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.11 111.81 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.538 ' HZ ' HD11 ' A' ' 23' ' ' ILE . 95.2 m-85 -93.31 137.92 32.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.967 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -140.26 98.86 3.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 60.0 49.56 7.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.95 -45.77 2.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.415 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -63.85 179.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.818 0.342 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.45 153.47 31.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.66 104.82 2.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.1 tp -61.23 124.14 19.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.7 tp -98.12 121.02 39.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.57 166.66 10.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.065 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.8 t -61.68 -17.08 54.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -94.85 23.82 5.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.285 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.5 p 55.17 39.36 31.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.083 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.681 ' CB ' ' HB1' ' A' ' 134' ' ' ALA . 66.4 m -135.78 141.84 44.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.851 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.658 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 91.1 m-85 -88.24 133.98 33.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 27.5 pt -61.38 149.41 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -164.05 135.32 4.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.667 ' SG ' HD13 ' A' ' 47' ' ' LEU . 27.4 p -84.14 172.72 11.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -122.78 179.66 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -86.79 -31.65 20.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.31 -42.38 25.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 132.81 49.83 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -142.75 106.63 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.656 HD12 ' HB3' ' A' ' 45' ' ' PHE . 31.2 mt -83.63 121.76 36.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.048 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -136.1 166.55 23.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.681 ' HB1' ' CB ' ' A' ' 122' ' ' CYS . . . -86.5 115.69 24.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.13 179.72 1.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.03 176.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -62.16 -46.4 89.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.9 m -59.93 135.1 57.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.658 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -108.41 113.63 26.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -83.69 177.73 52.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.36 -31.84 70.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -80.41 -30.44 37.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -28.1 65.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 10.6 mmt -58.22 146.77 32.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 3.0 pt -130.37 171.79 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -119.93 105.34 10.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 19.7 mt -94.58 118.1 39.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 27.5 mtt-85 -108.5 152.73 24.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.469 ' HA ' HG22 ' A' ' 27' ' ' ILE . 46.1 t -129.55 149.14 51.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 15.4 p -115.95 32.16 6.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m 60.01 30.39 19.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -177.61 149.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.5 -84.12 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.515 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -163.48 90.43 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.6 p -92.82 131.52 37.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.88 -47.09 1.04 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.494 HD21 ' O ' ' A' ' 16' ' ' THR . 13.5 tp -109.63 132.56 54.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.763 0.316 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.84 99.02 1.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.5 tt -115.17 129.59 71.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.31 117.49 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.37 -89.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.441 HG13 ' CD1' ' A' ' 14' ' ' TRP . 43.7 pt -134.65 31.1 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 111.095 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.441 ' CD1' HG13 ' A' ' 13' ' ' ILE . 59.1 m95 -134.42 130.61 37.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 51.6 p-90 -127.54 141.39 51.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.494 ' O ' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -68.14 134.32 50.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.609 HG21 HG12 ' A' ' 23' ' ' ILE . 17.2 m -72.91 163.77 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.1 m -106.33 -38.11 6.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -150.42 177.67 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.779 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 46.3 t80 -58.33 -44.0 88.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.047 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.26 -24.82 38.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.654 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.79 -30.75 22.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 20' ' ' PHE . 20.1 mt -72.05 90.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.053 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -150.43 144.46 25.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.11 -162.74 44.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.426 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -60.6 130.59 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.32 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 pt -147.81 164.5 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.65 142.44 50.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.1 mt -114.27 146.83 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -127.82 116.02 19.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.545 ' HA ' HG22 ' A' ' 145' ' ' ILE . 25.0 mtt -86.3 -60.11 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.804 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.71 179.98 5.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -80.61 86.52 5.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.07 -30.48 8.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.417 ' HB1' ' HG ' ' A' ' 47' ' ' LEU . . . -83.82 143.48 29.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.834 0.349 . . . . 0.0 111.111 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -119.46 159.97 23.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.572 HG23 HD13 ' A' ' 132' ' ' ILE . 3.2 mt -69.78 115.22 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -95.65 160.52 14.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -118.74 152.31 36.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.071 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.0 mt -119.96 144.78 47.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.95 -34.41 76.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -59.2 -26.5 64.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.989 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.68 30.34 2.03 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.568 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.6 mt -129.26 176.52 7.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.771 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.912 ' HB3' HD12 ' A' ' 132' ' ' ILE . 19.6 m-85 -140.13 132.88 29.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 t -138.37 159.83 41.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.417 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 12.5 tp -70.82 115.74 10.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.76 157.38 52.53 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.406 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.45 143.59 85.56 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.627 0.251 . . . . 0.0 111.056 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.78 166.11 30.88 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.451 2.1 . . . . 0.0 112.326 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -90.94 145.87 24.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.86 -32.6 21.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.19 161.05 21.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -84.39 -41.84 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.57 98.14 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -156.78 151.2 25.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -96.61 158.57 21.51 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.502 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.401 ' HD2' ' NE1' ' A' ' 14' ' ' TRP . 57.2 Cg_endo -71.42 171.55 15.96 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.583 2.188 . . . . 0.0 112.297 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.8 p -80.51 164.56 51.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.519 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 51.5 Cg_exo -53.18 -48.2 23.36 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.499 2.133 . . . . 0.0 112.63 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 60.5 Cg_endo -72.87 -26.3 15.75 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.173 1.915 . . . . 0.0 112.33 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.4 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 9.5 mt-10 -70.57 -31.62 68.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -73.63 156.55 37.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.4 ' CE2' ' O ' ' A' ' 62' ' ' GLU . 91.4 m-85 -136.91 147.06 46.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.68 119.62 38.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.36 144.29 25.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.01 120.27 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.409 ' HE3' ' CE2' ' A' ' 20' ' ' PHE . 5.6 mtpt -69.26 146.53 52.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.804 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.6 mt -133.39 -73.36 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.94 159.03 0.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.09 34.13 21.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.991 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.436 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 3.1 t 60.5 43.64 12.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 -120.84 129.92 53.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.779 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 15.8 pt -118.91 148.62 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.19 126.97 51.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.448 ' HB3' HD12 ' A' ' 84' ' ' LEU . 12.4 mt -97.97 134.46 41.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -119.0 116.84 27.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.3 p -61.45 152.24 30.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.77 -30.26 68.94 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -62.49 -30.8 71.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.1 35.21 1.14 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.517 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -135.67 171.39 14.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.785 0.326 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -103.06 136.53 42.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.448 HD12 ' HB3' ' A' ' 76' ' ' LEU . 96.0 mt -71.44 98.61 1.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -116.5 129.18 8.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 pt -72.66 132.88 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 111.145 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -76.74 175.63 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m -63.82 -38.83 92.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.61 -31.11 70.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 111.73 28.15 3.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.527 HD12 ' HB3' ' A' ' 133' ' ' GLU . 4.6 tp -105.4 127.81 53.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.555 ' CG2' HG22 ' A' ' 132' ' ' ILE . 21.6 t -64.32 108.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.068 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.8 m -127.51 164.75 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.147 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.32 96.55 0.2 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.545 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -150.27 63.73 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.798 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.26 135.8 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.84 30.55 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.34 166.77 22.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.2 mt -104.41 79.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -89.81 178.07 43.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -51.19 -49.16 17.99 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.598 2.199 . . . . 0.0 112.321 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 42.3 mtt85 -62.02 -30.91 71.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 26.9 mp0 -74.4 -30.64 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -63.44 144.27 57.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.405 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 94.8 m95 -131.67 166.62 21.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.68 93.82 4.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -68.62 154.11 72.13 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.436 2.091 . . . . 0.0 112.269 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.3 t -128.78 158.79 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.228 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.525 ' HZ ' HD11 ' A' ' 23' ' ' ILE . 78.2 m-85 -149.42 108.7 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -136.01 119.35 16.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 59.14 28.85 18.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.93 -28.38 12.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.518 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -62.41 179.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -174.39 148.43 1.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.421 ' HB3' ' CE1' ' A' ' 123' ' ' PHE . . . -157.81 135.58 10.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.6 tp -75.77 105.73 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.57 132.25 35.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.405 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -77.52 172.05 13.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.5 t -70.16 -9.87 57.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.275 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.405 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 47.4 p30 -94.08 22.09 6.17 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.242 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 m 56.02 48.09 18.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.891 0.376 . . . . 0.0 111.043 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.3 m -155.6 140.04 16.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.617 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 32.7 m-85 -69.73 -179.91 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 17.9 pt -135.72 148.65 28.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.232 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -162.23 173.78 13.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 49.5 t -122.2 156.83 32.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -100.84 179.86 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.71 -33.18 73.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.85 -30.63 68.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 112.2 30.98 2.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.465 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -107.1 104.25 13.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.912 HD12 ' HB3' ' A' ' 45' ' ' PHE . 17.4 mt -84.45 110.9 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.527 ' HB3' HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -135.11 168.14 19.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -85.46 128.33 34.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.64 173.79 7.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -60.46 173.35 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -59.87 -28.56 67.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 81.1 p -57.93 125.53 23.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.627 ' HB1' ' HE1' ' A' ' 144' ' ' MET . . . -96.63 102.49 14.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -75.27 176.5 49.88 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -68.08 -40.56 82.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.92 -28.22 60.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.26 -30.03 64.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.627 ' HE1' ' HB1' ' A' ' 139' ' ' ALA . 32.8 mmt -59.33 122.65 14.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.545 HG22 ' HA ' ' A' ' 31' ' ' MET . 25.4 pt -109.56 166.22 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -117.28 100.66 7.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 27.6 mt -77.94 126.77 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -123.82 139.41 54.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.5 t -113.89 152.66 30.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 10.3 p -130.45 32.58 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -80.67 -176.82 5.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.45 119.9 14.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -84.11 -175.85 5.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -115.4 31.63 6.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.93 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 t -168.72 109.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 t -100.28 33.57 2.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.35 -164.87 12.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.535 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m -121.62 91.34 3.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.0 m -81.99 -44.41 16.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.05 83.69 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.91 143.13 50.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.99 143.13 50.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.8 tt -163.16 128.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.4 t -121.33 94.11 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.2 -80.62 0.72 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.432 HG13 ' CD1' ' A' ' 14' ' ' TRP . 13.8 pt -140.62 30.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 111.124 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.432 ' CD1' HG13 ' A' ' 13' ' ' ILE . 87.5 m95 -134.28 103.77 5.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -103.89 137.37 41.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 m -66.07 133.6 51.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.6 m -66.46 -179.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -141.23 -47.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -124.57 176.04 6.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.761 ' CE1' HG23 ' A' ' 74' ' ' ILE . 76.0 t80 -63.12 -30.62 71.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.06 -29.38 72.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.457 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.05 -31.85 73.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.472 HG21 HD13 ' A' ' 74' ' ' ILE . 14.0 mt -75.03 106.0 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.051 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.2 m -161.6 135.71 6.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.95 -141.04 27.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.8 m -72.04 138.85 48.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.644 HD13 ' HB2' ' A' ' 66' ' ' ALA . 23.4 pt -149.66 179.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.92 142.17 20.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mt -111.69 141.04 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -125.3 117.56 24.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.488 ' HE3' HD12 ' A' ' 124' ' ' ILE . 31.6 mtt -90.72 -49.76 6.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.65 174.76 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -78.39 82.01 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.14 -32.98 5.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.61 133.62 33.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 111.066 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -116.42 174.61 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.2 mt -79.45 114.15 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -97.61 157.94 15.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -118.4 148.0 42.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.8 mt -114.43 155.6 26.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -79.92 -31.65 40.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -59.5 -29.7 68.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.57 35.38 1.0 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.13 172.5 12.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.723 0.297 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.449 ' CZ ' ' CD2' ' A' ' 84' ' ' LEU . 12.1 m-85 -131.18 119.35 21.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 t -122.32 175.88 6.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.408 HD13 ' CB ' ' A' ' 126' ' ' CYS . 11.5 tp -87.75 111.75 21.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.49 159.08 30.71 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.486 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.41 141.85 88.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.692 0.282 . . . . 0.0 111.049 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.21 155.22 51.88 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.526 2.15 . . . . 0.0 112.331 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -85.31 163.8 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -95.91 -46.09 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.84 146.18 26.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -73.39 -36.12 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -87.09 65.44 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -145.92 127.39 15.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.31 166.08 49.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.53 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.23 163.32 34.77 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.575 2.183 . . . . 0.0 112.274 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.4 m -70.95 163.91 61.03 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.523 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 51.7 Cg_exo -54.32 -47.46 26.8 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.602 2.202 . . . . 0.0 112.679 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 70.8 Cg_endo -74.9 -24.48 13.02 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.248 1.965 . . . . 0.0 112.524 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -70.46 -30.81 67.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -75.58 130.13 38.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.872 ' CD1' HD11 ' A' ' 84' ' ' LEU . 89.6 m-85 -109.68 150.88 27.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.03 129.05 44.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.644 ' HB2' HD13 ' A' ' 27' ' ' ILE . . . -92.45 138.61 31.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.03 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.436 ' HB ' ' HB3' ' A' ' 75' ' ' ALA . 21.4 t -137.01 114.48 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.262 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.69 141.73 55.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.701 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.658 HD11 ' HB2' ' A' ' 75' ' ' ALA . 9.2 mt -125.73 -75.79 0.59 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.046 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.6 p 179.91 159.11 0.76 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 57.99 40.25 25.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.433 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 49.8 m 61.26 31.35 19.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 50.0 mmm-85 -108.17 142.11 38.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.761 HG23 ' CE1' ' A' ' 20' ' ' PHE . 12.2 pt -133.7 146.97 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.658 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -105.06 130.42 53.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.698 ' HB3' HD12 ' A' ' 84' ' ' LEU . 47.9 mt -93.11 157.81 16.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -141.29 145.41 35.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.7 p -83.04 153.74 24.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.93 -28.54 66.22 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.529 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -73.75 -50.01 22.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 141.6 53.26 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.562 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -147.85 135.89 21.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -73.28 126.86 31.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.872 HD11 ' CD1' ' A' ' 64' ' ' PHE . 90.5 mt -63.41 109.97 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -120.27 152.28 17.02 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.544 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.425 HG21 ' HB1' ' A' ' 118' ' ' ALA . 35.8 pt -94.46 153.4 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 111.114 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -93.34 179.24 5.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.5 m -75.81 -37.99 58.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.94 -41.39 74.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 131.11 43.49 0.18 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.642 HD12 ' HB3' ' A' ' 133' ' ' GLU . 4.4 tp -126.39 130.39 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.4 t -78.51 119.51 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.9 m -132.34 179.59 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.42 84.78 0.17 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.447 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -136.52 31.76 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.33 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 m -142.08 130.95 22.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.71 32.09 3.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -127.35 150.97 49.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.9 mt -90.54 89.46 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.92 167.24 15.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.436 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -51.95 -52.47 8.9 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.533 2.155 . . . . 0.0 112.348 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -59.65 -30.89 69.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.96 -29.29 61.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.471 ' OE1' HD13 ' A' ' 69' ' ' LEU . 1.6 mt-30 -64.73 165.92 9.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -143.4 151.35 40.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -122.1 89.1 48.5 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.533 ' HG3' HD11 ' A' ' 74' ' ' ILE . 52.6 Cg_exo -54.58 152.97 25.17 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.61 2.207 . . . . 0.0 112.201 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -136.44 144.95 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.447 ' HZ ' HD11 ' A' ' 23' ' ' ILE . 38.0 m-85 -145.21 129.72 17.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -148.92 116.48 6.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.52 33.9 20.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.45 -39.26 2.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -61.82 179.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.437 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 1.4 ptt? -169.5 155.25 6.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.39 123.18 5.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.1 tp -70.86 116.4 11.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.4 tp -99.72 118.2 35.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.432 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -61.14 167.03 3.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 t -68.97 -12.2 61.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.334 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.432 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 35.8 p30 -95.44 25.47 4.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.658 0.266 . . . . 0.0 111.172 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.21 41.23 29.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.994 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 40.0 m -142.1 141.05 32.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.967 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -78.67 132.22 36.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.488 HD12 ' HE3' ' A' ' 31' ' ' MET . 1.0 OUTLIER -72.54 158.75 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 59.6 ttt-85 -170.14 163.55 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.408 ' CB ' HD13 ' A' ' 47' ' ' LEU . 17.3 p -99.34 179.99 4.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -128.35 179.88 5.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -83.34 -43.78 15.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.24 -32.93 69.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 121.26 57.46 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.439 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -139.32 101.65 4.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.807 0.337 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.6 mm -69.66 108.22 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.642 ' HB3' HD12 ' A' ' 91' ' ' LEU . 3.7 pt-20 -134.01 169.53 16.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -90.75 146.46 23.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.47 179.95 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.28 162.83 4.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -59.9 -30.95 69.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.65 119.06 6.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -84.06 158.94 21.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.096 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -156.9 -179.91 32.21 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.54 -44.38 90.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.85 -36.94 70.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -64.14 -29.18 70.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.3 mmt -58.28 158.24 7.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 9.3 pt -141.19 173.4 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.65 115.67 13.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 27.6 mt -100.32 147.09 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -138.28 149.92 46.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 46.1 t -119.44 158.72 25.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 14.0 p -121.79 35.47 4.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -70.94 175.46 5.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.99 97.91 10.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -94.25 164.82 12.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -121.47 117.43 26.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 155' ' ' THR . 2.5 t . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.154 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -174.35 148.09 1.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.363 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.83 -50.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.39 -158.89 8.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m 60.23 31.56 20.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.37 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 m -112.96 99.56 7.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.82 -155.29 7.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.554 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -76.09 129.77 37.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.35 110.98 17.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 tt -122.36 134.58 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.71 89.14 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.59 -83.54 0.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.474 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.1 pp -136.67 30.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.445 ' NE1' HD11 ' A' ' 13' ' ' ILE . 88.6 m95 -135.47 112.3 10.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.411 ' CD1' ' HD3' ' A' ' 153' ' ' ARG . 20.3 p-90 -111.73 142.95 43.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.73 158.08 35.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 147' ' ' ILE . 9.9 m -98.37 169.42 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.149 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.1 -44.99 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -123.56 178.51 5.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 72' ' ' SER . 25.7 t80 -66.68 -32.5 73.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.67 -28.54 68.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.469 ' HB3' HG12 ' A' ' 17' ' ' VAL . 3.2 mm-40 -71.37 -30.36 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 111.008 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.602 HG21 HD13 ' A' ' 74' ' ' ILE . 32.8 mt -70.07 91.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.8 p -156.66 138.19 14.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.57 -134.11 12.4 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.538 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.1 m -92.5 129.0 38.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.504 HD11 HD21 ' A' ' 76' ' ' LEU . 8.9 pt -134.71 169.2 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.43 117.06 11.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.612 ' CG2' HD12 ' A' ' 145' ' ' ILE . 1.9 mp -90.53 139.11 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -123.29 120.34 32.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.41 ' HE2' ' HA ' ' A' ' 125' ' ' ARG . 7.4 mtp -94.17 -51.06 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.446 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 2.0 t0 -100.0 171.3 7.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -76.67 80.97 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.57 -27.57 6.84 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.56 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . . . -85.96 157.24 20.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 111.153 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -135.03 169.13 17.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.556 HD12 ' HB ' ' A' ' 29' ' ' ILE . 26.0 mt -77.69 114.69 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -108.9 143.43 38.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.608 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -107.63 156.86 18.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.9 mt -114.66 145.41 42.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.15 -33.2 70.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -62.81 -30.26 71.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 129.9 -24.38 4.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.612 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.71 166.61 23.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.754 0.311 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.842 ' HB3' HD12 ' A' ' 132' ' ' ILE . 11.5 m-85 -128.73 123.58 33.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.0 t -118.38 166.8 12.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.663 HD13 ' SG ' ' A' ' 126' ' ' CYS . 13.4 tp -84.49 112.68 20.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.41 143.89 48.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.84 148.92 74.85 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.668 0.271 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.72 138.21 34.27 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.577 2.184 . . . . 0.0 112.275 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -60.51 163.42 5.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.14 -56.15 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -74.28 163.78 27.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.2 p -83.5 -31.11 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.52 86.44 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -153.52 129.7 10.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.81 164.99 45.3 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.438 ' HD2' ' CE2' ' A' ' 14' ' ' TRP . 53.2 Cg_endo -69.8 150.69 68.3 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.54 2.16 . . . . 0.0 112.329 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.46 162.94 22.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.551 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 59.8 Cg_exo -50.3 -50.61 13.0 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.582 2.188 . . . . 0.0 112.707 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 37.8 Cg_endo -66.41 -25.55 48.66 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.133 1.889 . . . . 0.0 112.19 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 76.7 mt-10 -78.98 -27.73 43.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -71.28 113.46 8.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' A' ' 62' ' ' GLU . 94.8 m-85 -97.53 152.78 18.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.9 m -116.26 119.36 35.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.57 145.41 24.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.92 110.92 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -61.99 153.24 30.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mt -136.46 -65.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.02 151.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.59 34.2 20.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 3.5 m 60.98 42.33 12.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 -117.33 109.0 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.602 HD13 HG21 ' A' ' 23' ' ' ILE . 4.8 pt -98.66 157.53 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.94 112.58 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.504 HD21 HD11 ' A' ' 27' ' ' ILE . 14.9 mt -76.87 143.44 39.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -131.31 119.69 22.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.3 p -59.61 149.86 29.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.33 -27.89 61.12 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -60.49 -38.69 85.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.2 42.57 0.29 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -145.93 164.56 31.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.899 0.381 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -96.8 140.15 31.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.404 HD11 ' CE2' ' A' ' 64' ' ' PHE . 75.7 mt -74.31 106.98 6.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -117.6 126.96 7.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.522 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.4 pt -72.05 133.56 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 111.096 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -78.37 172.79 13.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t -60.33 -31.58 70.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.06 -35.95 48.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.831 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 118.55 36.31 0.92 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 133' ' ' GLU . 3.0 tp -108.27 138.19 44.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.02 103.8 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.05 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.3 m -122.61 176.07 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -155.62 93.05 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.573 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -141.87 35.8 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.807 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.08 160.22 32.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -121.39 31.95 6.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.47 -179.86 7.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -110.83 97.91 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.79 174.39 21.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.545 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.54 -51.25 11.56 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.596 2.198 . . . . 0.0 112.325 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -59.77 -28.9 67.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.41 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 3.0 mp0 -77.28 -25.7 51.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.15 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -57.89 146.85 30.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.114 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.41 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 96.1 m95 -131.09 -179.95 5.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.786 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -161.8 90.16 1.45 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.7 170.21 17.02 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.537 2.158 . . . . 0.0 112.241 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.4 t -146.93 156.98 10.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.466 ' CZ ' HD11 ' A' ' 23' ' ' ILE . 83.7 m-85 -149.69 114.37 5.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -145.84 132.94 20.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 57.9 25.26 11.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.99 -29.67 9.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.559 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -67.79 179.3 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 110.976 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.429 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 5.3 ptp -167.21 128.89 1.61 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.31 128.84 30.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.7 tp -78.74 121.16 24.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 21.8 tp -101.94 121.62 42.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.72 170.23 12.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.2 t -73.09 -8.41 55.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.334 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -95.97 25.5 4.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.764 0.316 . . . . 0.0 111.167 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 m 55.51 30.5 15.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.156 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.1 m -140.29 127.35 20.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -60.53 -179.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.628 HD11 HD13 ' A' ' 145' ' ' ILE . 2.2 pp -116.57 156.8 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.41 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 0.1 OUTLIER -176.3 153.95 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.663 ' SG ' HD13 ' A' ' 47' ' ' LEU . 18.4 p -97.49 174.29 6.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -128.84 179.76 5.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -81.78 -36.76 28.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.89 69.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 115.42 31.52 1.98 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.563 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -120.74 116.02 24.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.842 HD12 ' HB3' ' A' ' 45' ' ' PHE . 30.8 mt -95.36 96.58 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.43 ' HB3' HD12 ' A' ' 91' ' ' LEU . 6.9 pt-20 -117.18 167.39 11.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -81.86 130.38 35.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -84.9 171.02 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -63.28 179.28 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -34.14 73.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.54 107.54 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -90.63 132.27 35.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -111.88 -179.99 19.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.535 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.81 -32.25 73.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.83 -31.53 63.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -65.19 -29.49 70.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.008 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.9 mmt -58.35 137.19 57.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.628 HD13 HD11 ' A' ' 124' ' ' ILE . 13.1 pt -126.85 168.97 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -121.79 103.16 8.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.47 ' O ' HG22 ' A' ' 17' ' ' VAL . 23.3 mt -87.83 117.81 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -104.48 169.79 8.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 31.2 t -140.37 152.89 46.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' CYS . . . . . 0.404 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 26.5 p -136.08 31.36 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -83.25 -176.75 6.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -84.7 98.8 10.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ARG . . . . . 0.411 ' HD3' ' CD1' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -67.05 171.89 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -96.74 65.44 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 20.0 p . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.972 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 m -161.97 -51.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.27 144.27 26.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.33 -136.45 2.26 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -150.21 97.8 2.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.43 168.99 0.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.67 153.47 5.94 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.893 HD13 ' N ' ' A' ' 9' ' ' ASP . 2.3 tm? -73.87 141.29 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.893 ' N ' HD13 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -59.52 117.25 4.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 tt -151.69 128.07 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.9 99.59 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.79 -83.98 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.418 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.423 HG13 ' CD1' ' A' ' 14' ' ' TRP . 19.8 pt -143.35 30.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 111.136 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.423 ' CD1' HG13 ' A' ' 13' ' ' ILE . 61.2 m95 -137.08 130.68 31.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -130.56 134.02 46.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 84.8 m -62.36 123.54 18.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.3 m -65.68 179.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -127.01 -44.87 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -124.63 -178.76 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.644 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 66.7 t80 -72.2 -35.64 68.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.12 -27.34 59.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.588 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.5 -30.14 61.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.498 HG23 HD13 ' A' ' 27' ' ' ILE . 32.1 mt -68.73 97.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 83.8 p -156.91 142.2 17.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.48 -128.6 8.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 m -93.96 136.58 34.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.544 ' CD1' ' HB2' ' A' ' 66' ' ' ALA . 33.7 pt -149.34 141.31 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.46 131.83 54.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.567 ' HB ' HD12 ' A' ' 37' ' ' ILE . 20.1 mt -105.65 127.75 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -108.79 124.85 51.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.457 ' HE3' HD12 ' A' ' 124' ' ' ILE . 12.7 mtp -99.64 -48.93 4.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.91 179.97 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.813 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 85.41 4.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.795 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.23 -29.72 10.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.424 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.81 161.13 27.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.997 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -140.41 154.84 46.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.567 HD12 ' HB ' ' A' ' 29' ' ' ILE . 4.9 mt -62.37 105.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -88.68 152.14 22.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -112.69 126.05 54.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 40' ' ' LEU . 22.9 mt -86.17 174.83 8.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -94.94 -34.9 12.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -60.18 -31.45 70.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.99 40.25 0.42 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.528 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mt -140.91 179.96 6.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -140.43 119.49 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 t -117.58 161.45 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.549 HD13 ' SG ' ' A' ' 126' ' ' CYS . 14.7 tp -60.19 111.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.93 145.38 43.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.77 134.46 95.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.567 0.223 . . . . 0.0 111.054 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.8 150.5 78.86 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.461 2.107 . . . . 0.0 112.28 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -95.69 132.26 41.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -62.36 -51.21 68.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -72.54 151.77 42.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.6 t -81.1 -30.45 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -95.1 44.41 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -107.88 111.54 23.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.02 161.0 47.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.14 168.99 20.45 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.601 2.201 . . . . 0.0 112.326 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.416 ' HB3' ' HD2' ' A' ' 61' ' ' PRO . 55.2 m -99.91 163.17 18.92 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.685 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.544 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 78.2 Cg_exo -48.93 -51.04 11.26 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.455 2.103 . . . . 0.0 112.846 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 37.2 Cg_endo -65.57 -25.49 54.94 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.096 1.864 . . . . 0.0 112.223 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -85.51 -31.29 22.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -68.06 155.94 38.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.415 ' CE1' HD11 ' A' ' 84' ' ' LEU . 98.3 m-85 -134.62 163.01 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 m -126.8 134.17 50.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.544 ' HB2' ' CD1' ' A' ' 27' ' ' ILE . . . -94.44 165.19 12.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -151.98 101.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -60.92 119.79 8.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.812 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.446 HD11 ' HB2' ' A' ' 75' ' ' ALA . 91.5 mt -112.42 -73.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.99 157.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 59.31 33.6 22.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.428 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 14.7 m 60.58 39.04 18.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.72 114.57 22.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.644 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 9.6 pt -105.3 149.75 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.16 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.446 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -102.21 100.82 11.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 105' ' ' TRP . 30.7 mt -61.02 160.26 10.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -156.65 118.76 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 64.9 p -67.94 154.99 40.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.61 -30.82 69.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -59.92 -30.61 69.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.58 38.18 1.11 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.45 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -130.34 161.73 30.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -96.6 124.22 40.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.473 ' HA ' HD23 ' A' ' 84' ' ' LEU . 12.2 mt -66.04 120.02 12.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.844 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -135.52 157.6 23.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.403 HG23 ' CH2' ' A' ' 105' ' ' TRP . 1.4 pt -111.37 141.71 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -72.5 171.07 13.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.805 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.1 -33.99 72.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.88 -33.27 65.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 123.06 45.67 0.29 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.514 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 tp -125.35 120.32 30.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.4 HG22 HG22 ' A' ' 86' ' ' ILE . 19.6 t -73.03 109.38 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.7 m -134.54 139.97 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.063 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -110.65 90.17 0.57 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -158.44 45.09 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.3 t -112.2 -37.57 4.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 60.97 33.92 19.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -160.45 165.2 31.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.073 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.3 mt -95.86 84.32 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.27 166.71 24.53 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.566 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.46 -36.63 70.66 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.557 2.171 . . . . 0.0 112.314 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -74.31 -31.07 62.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.411 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 8.5 mp0 -65.38 -30.07 70.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.99 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -64.97 141.08 58.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.541 ' CD1' HD12 ' A' ' 76' ' ' LEU . 86.7 m95 -124.75 143.76 50.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -114.87 91.79 27.64 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.008 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.53 125.26 12.55 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.47 2.114 . . . . 0.0 112.215 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 109' ' ' PHE . 19.1 t -97.13 159.79 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.485 ' N ' HG12 ' A' ' 108' ' ' VAL . 61.7 m-85 -146.53 125.03 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.81 117.29 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.97 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 57.67 34.42 24.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.035 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.06 -38.94 2.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -58.36 176.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 6.0 ptp -160.29 152.76 20.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -151.57 128.28 10.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.501 HD21 HD11 ' A' ' 76' ' ' LEU . 17.3 tp -77.56 112.97 14.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.0 tp -98.48 132.2 44.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.604 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -77.07 168.05 20.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 44.2 t -66.76 -13.8 61.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.224 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.604 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 34.5 p30 -94.44 22.53 6.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.246 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.3 m 55.12 33.77 21.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.847 0.356 . . . . 0.0 111.051 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 56.7 m -130.95 130.99 44.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.466 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 22.4 m-85 -65.65 -179.98 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.457 HD12 ' HE3' ' A' ' 31' ' ' MET . 14.9 pt -126.71 162.57 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.133 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -176.47 143.91 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.549 ' SG ' HD13 ' A' ' 47' ' ' LEU . 26.4 p -85.83 147.76 26.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -94.14 171.81 8.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -31.28 72.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.33 -34.79 21.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.065 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 135.24 -23.88 3.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.644 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -57.01 109.01 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.789 0.328 . . . . 0.0 110.984 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.7 mt -88.38 119.67 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -128.79 175.11 8.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -101.29 115.74 31.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.43 167.43 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -59.49 178.34 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -59.05 -24.92 63.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 12.1 p -55.03 107.18 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.466 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -87.11 112.7 22.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -94.93 178.44 36.14 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.558 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.63 -37.68 88.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.34 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -73.55 -31.49 63.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.19 -31.05 69.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 29.8 mmt -59.68 116.83 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 4.3 pt -110.07 169.86 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -130.39 94.32 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 19.6 mt -75.37 118.35 21.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.135 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -108.64 154.75 21.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.522 ' HB2' HG22 ' A' ' 27' ' ' ILE . 10.7 t -132.44 134.32 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' CYS . . . . . 0.402 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 26.7 p -99.62 36.67 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -81.98 171.74 14.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -66.18 102.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -61.13 -177.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.15 93.59 6.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.91 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.38 -174.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -67.04 159.82 27.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.87 93.61 1.75 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -90.03 143.57 26.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 t -144.56 87.28 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.14 -153.86 7.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 tp -133.1 148.8 52.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 0.0 110.959 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.78 116.72 29.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.424 HD11 HH11 ' A' ' 153' ' ' ARG . 1.9 tt -120.93 130.09 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.617 HG13 ' HA ' ' A' ' 55' ' ' ASP . 22.0 t -120.69 88.86 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.06 -81.1 0.25 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.416 HG13 ' CD1' ' A' ' 14' ' ' TRP . 27.9 pt -133.01 31.11 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.354 . . . . 0.0 111.102 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.416 ' CD1' HG13 ' A' ' 13' ' ' ILE . 68.8 m95 -135.8 116.37 13.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.468 ' HZ2' ' HB3' ' A' ' 151' ' ' ALA . 51.1 p-90 -114.85 139.24 49.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.4 m -64.19 128.86 37.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.4 m -63.55 164.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.39 -31.99 7.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -162.04 -178.74 6.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.786 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 22.0 t80 -57.84 -40.24 79.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.09 -26.04 41.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.663 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -84.65 -31.04 24.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.527 HG21 HD13 ' A' ' 74' ' ' ILE . 36.5 mt -74.26 105.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.048 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.1 t -172.75 93.15 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.61 -158.83 22.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.3 m -66.37 117.2 8.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.722 0.296 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.618 HD11 HD21 ' A' ' 76' ' ' LEU . 2.0 pp -139.48 163.51 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.04 162.61 24.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.436 HG23 HD12 ' A' ' 145' ' ' ILE . 2.8 mp -132.48 128.13 57.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -108.84 111.85 23.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.511 ' CE ' HD12 ' A' ' 124' ' ' ILE . 6.8 mtt -86.52 -46.26 10.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.63 178.89 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -88.41 80.15 7.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.54 -27.39 6.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.488 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.35 167.5 11.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.845 0.355 . . . . 0.0 111.074 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -141.43 169.95 16.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.7 mt -75.29 118.23 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -106.66 151.24 25.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.38 167.26 10.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.0 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.4 mt -135.48 145.09 46.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -65.15 -31.33 72.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -60.01 -31.77 70.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.08 36.39 0.95 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.521 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.5 mt -140.69 158.78 43.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.424 ' CE2' HD21 ' A' ' 84' ' ' LEU . 42.7 m-85 -119.59 125.67 49.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.4 t -124.07 167.09 14.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.2 tp -79.7 110.11 14.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.66 173.35 4.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.15 140.52 49.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.656 0.265 . . . . 0.0 111.053 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.61 126.6 11.62 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.494 2.129 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -61.82 158.74 15.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.95 -64.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -76.08 157.97 32.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -76.57 -54.51 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.617 ' HA ' HG13 ' A' ' 11' ' ' VAL . 11.5 t70 -74.37 77.06 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -140.95 134.09 29.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.25 148.91 28.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.42 158.9 55.69 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.661 2.241 . . . . 0.0 112.418 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.405 ' HB3' ' HD2' ' A' ' 61' ' ' PRO . 0.3 OUTLIER -72.57 159.46 85.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.54 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 58.0 Cg_exo -49.96 -52.07 9.62 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.456 2.104 . . . . 0.0 112.776 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 35.9 Cg_endo -64.66 -24.94 62.0 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.18 1.92 . . . . 0.0 112.282 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -77.1 -31.72 56.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -66.3 137.27 56.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.45 ' CE1' HD11 ' A' ' 84' ' ' LEU . 77.7 m-85 -118.27 161.96 19.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.23 124.35 48.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.06 130.91 53.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.2 t -127.74 136.75 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -72.11 154.75 40.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.593 HD11 ' HB2' ' A' ' 75' ' ' ALA . 75.4 mt -138.06 -75.2 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.4 p 179.93 150.51 0.37 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.34 38.34 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.029 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.433 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER 62.01 35.35 16.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -112.67 120.76 42.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.786 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 16.4 pt -112.36 150.13 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.593 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -106.93 128.25 54.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.031 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.618 HD21 HD11 ' A' ' 27' ' ' ILE . 15.0 mt -94.82 156.71 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -147.84 134.14 19.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.789 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.3 p -70.87 160.99 31.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.987 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.63 -28.59 72.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -64.78 -42.64 94.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.06 42.82 0.21 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.544 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -137.86 137.61 38.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -78.49 129.52 34.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 76' ' ' LEU . 85.1 mt -64.64 106.37 1.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -115.08 139.62 15.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.585 HD13 ' OD1' ' A' ' 120' ' ' ASN . 1.6 pt -85.51 156.82 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 111.125 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -108.0 166.63 10.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 p -62.37 -38.95 91.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.02 -31.53 72.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 112.39 28.54 3.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.549 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tp -106.39 138.18 43.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -83.23 110.45 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.4 m -128.49 163.15 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.45 80.25 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -132.56 35.81 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -139.28 131.84 28.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -98.96 31.48 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -121.06 -175.52 3.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.2 mt -131.74 84.09 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.172 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.95 -160.29 21.7 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 -42.22 3.68 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.577 2.185 . . . . 0.0 112.378 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.72 -32.82 74.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.402 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 12.3 mp0 -73.74 -27.73 61.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.974 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -62.98 167.25 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.016 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.412 ' HB3' HD11 ' A' ' 116' ' ' LEU . 86.3 m95 -150.92 168.54 24.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -144.4 93.76 5.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.22 147.6 66.7 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.521 2.147 . . . . 0.0 112.232 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.0 t -132.72 150.19 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.17 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -127.4 139.19 53.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.773 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -149.96 104.66 3.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 58.35 42.9 20.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.37 -44.32 2.46 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.457 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -58.76 172.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.82 146.66 23.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -143.04 124.42 14.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 105' ' ' TRP . 40.8 tp -76.45 105.19 7.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.0 tp -88.05 129.7 35.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.508 ' HB1' HG21 ' A' ' 86' ' ' ILE . . . -72.82 163.85 27.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.4 t -66.26 -15.42 63.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.27 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.585 ' OD1' HD13 ' A' ' 86' ' ' ILE . 9.5 p-10 -95.95 26.3 4.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.704 0.288 . . . . 0.0 111.174 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.1 p 55.83 44.76 25.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 111.05 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.689 ' HB3' ' HB1' ' A' ' 134' ' ' ALA . 91.1 m -137.83 133.28 33.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -81.73 122.74 28.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.511 HD12 ' CE ' ' A' ' 31' ' ' MET . 1.2 pt -61.91 159.79 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -171.27 174.29 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.0 p -115.14 165.95 12.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -126.03 152.98 45.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.04 -31.36 69.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.59 -42.77 61.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.084 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 127.67 44.65 0.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -130.19 118.43 21.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 29.9 mm -92.05 99.29 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -123.32 173.75 7.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.689 ' HB1' ' HB3' ' A' ' 122' ' ' CYS . . . -96.95 130.83 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.44 -179.9 5.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.787 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.23 172.55 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -60.66 -31.86 71.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 14.3 p -59.82 115.45 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.701 ' HB1' ' CE ' ' A' ' 144' ' ' MET . . . -94.75 111.62 23.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -90.43 174.6 40.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -60.14 -33.07 71.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -76.56 -37.11 57.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -61.61 -29.5 70.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.701 ' CE ' ' HB1' ' A' ' 139' ' ' ALA . 37.6 mmt -58.53 132.66 54.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.436 HD12 HG23 ' A' ' 29' ' ' ILE . 9.0 pt -119.28 179.98 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -136.57 101.88 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 20.7 mt -83.84 134.75 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.176 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 31.1 mtt-85 -130.49 133.14 46.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.485 ' HA ' HG22 ' A' ' 27' ' ' ILE . 38.6 t -98.3 165.03 12.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 26.3 p -121.74 31.63 6.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.468 ' HB3' ' HZ2' ' A' ' 15' ' ' TRP . . . -80.71 -177.64 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -86.92 110.13 19.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ARG . . . . . 0.424 HH11 HD11 ' A' ' 10' ' ' ILE . 7.3 mtm180 -60.1 -179.49 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -103.52 32.68 3.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.909 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 112.421 -0.272 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -139.52 160.21 40.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.3 m -134.58 93.71 3.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.04 39.46 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.6 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -113.77 -31.74 6.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.813 0.339 . . . . 0.0 110.964 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.14 96.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.45 136.03 27.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 tp -104.21 81.72 1.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.814 0.34 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -60.0 110.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 tt -113.17 129.31 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.2 101.12 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.8 -79.92 0.25 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.404 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.1 pp -143.2 30.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 111.082 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.404 ' CD1' HG13 ' A' ' 13' ' ' ILE . 34.3 m95 -135.07 136.92 42.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -117.73 117.58 29.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.3 m -60.02 134.48 57.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.622 HG12 ' HB3' ' A' ' 22' ' ' GLU . 13.0 m -83.51 169.02 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.8 t -126.89 -45.22 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -112.1 176.14 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.457 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 79.3 t80 -71.83 -31.74 66.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.67 -28.05 62.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.556 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.622 ' HB3' HG12 ' A' ' 17' ' ' VAL . 61.0 mm-40 -70.96 -28.93 64.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.723 0.297 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.806 HG21 HG21 ' A' ' 74' ' ' ILE . 36.5 mm -60.3 103.32 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 p -171.69 140.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.53 -163.51 48.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.519 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.0 m -69.83 130.15 41.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.753 0.311 . . . . 0.0 110.81 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.545 HG12 ' HB2' ' A' ' 66' ' ' ALA . 2.6 pp -144.68 153.18 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.87 147.0 40.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.043 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.441 ' CG2' HD12 ' A' ' 145' ' ' ILE . 2.0 mp -119.9 112.16 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.06 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 27.7 tt0 -93.89 118.83 31.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.767 ' HE2' HD12 ' A' ' 124' ' ' ILE . 12.5 mtt -84.51 -63.43 1.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.94 175.43 6.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -74.05 81.68 1.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.05 -27.85 7.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.467 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.72 ' HB1' ' HG ' ' A' ' 47' ' ' LEU . . . -90.06 140.98 29.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.731 0.301 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.41 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 43.7 m-85 -126.8 159.59 33.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.809 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.414 HG23 HG13 ' A' ' 132' ' ' ILE . 11.8 mt -70.47 107.56 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -90.87 143.81 26.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.51 145.19 27.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.7 mt -120.86 136.05 55.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.36 -29.52 69.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -57.45 -27.39 62.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.056 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.25 30.79 2.0 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 mt -137.89 -179.94 6.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.578 ' CE2' HD21 ' A' ' 84' ' ' LEU . 29.0 m-85 -141.75 129.73 21.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.9 t -135.47 161.62 34.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.72 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 7.6 tp -72.11 110.83 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.038 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.82 162.24 16.58 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.458 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.27 143.2 98.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.643 0.258 . . . . 0.0 111.132 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.44 146.5 44.79 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.59 2.193 . . . . 0.0 112.277 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -80.08 158.96 26.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -74.49 -48.47 27.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -98.69 133.88 42.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.78 -49.72 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -74.1 68.72 1.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -143.61 146.1 33.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.95 152.99 32.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.466 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.71 154.99 70.27 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.566 2.178 . . . . 0.0 112.372 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.55 159.66 66.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.578 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 76.8 Cg_exo -49.18 -49.56 15.07 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.641 2.227 . . . . 0.0 112.793 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 36.2 Cg_endo -65.49 -22.86 58.42 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.136 1.891 . . . . 0.0 112.277 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -83.63 -31.06 26.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.863 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -65.24 114.58 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.458 ' CE1' HD11 ' A' ' 84' ' ' LEU . 89.5 m-85 -101.36 173.08 6.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.74 136.98 52.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.545 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -105.11 144.95 31.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.003 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.578 ' HB ' ' HB3' ' A' ' 75' ' ' ALA . 21.4 t -141.8 110.33 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.439 ' HE3' ' CE2' ' A' ' 20' ' ' PHE . 7.9 mtpt -69.5 109.38 4.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' A' ' 75' ' ' ALA . 15.5 mt -90.94 -69.82 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.01 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.7 m 179.93 162.34 0.98 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 58.18 36.91 26.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.43 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 0.1 OUTLIER 60.75 32.74 20.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -114.8 130.08 56.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.806 HG21 HG21 ' A' ' 23' ' ' ILE . 16.9 pt -109.88 165.94 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.189 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.613 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -121.01 106.78 11.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.501 ' HB3' HD12 ' A' ' 84' ' ' LEU . 12.9 mt -74.12 141.65 45.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -139.77 129.12 24.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.15 160.77 30.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.65 -29.3 71.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.513 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -62.22 -30.43 71.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.706 0.289 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.03 31.21 2.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -125.83 149.05 48.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -88.98 133.85 34.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.578 HD21 ' CE2' ' A' ' 45' ' ' PHE . 20.1 mt -69.87 147.86 49.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.17 159.56 32.41 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.565 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.619 HG22 HG22 ' A' ' 92' ' ' VAL . 6.3 pt -105.97 144.41 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 111.155 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -80.87 178.65 8.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -66.02 -30.95 71.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.5 -39.19 47.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 141.04 -20.74 2.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.633 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.441 HD23 HG13 ' A' ' 93' ' ' VAL . 0.4 OUTLIER -57.13 143.8 37.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 0.0 111.029 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.619 HG22 HG22 ' A' ' 86' ' ' ILE . 28.0 t -98.44 111.4 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.057 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.441 HG13 HD23 ' A' ' 91' ' ' LEU . 30.2 m -120.4 176.82 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -145.51 86.96 0.17 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.07 54.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.924 0.393 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.2 t -116.96 -39.91 3.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 61.53 31.76 18.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -167.29 168.93 12.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.045 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.484 HD13 HD22 ' A' ' 69' ' ' LEU . 31.6 mt -89.28 131.95 35.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.77 164.92 28.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.82 -45.48 40.36 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.565 2.177 . . . . 0.0 112.316 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -73.35 -41.34 63.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.401 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 0.7 OUTLIER -59.83 -29.66 68.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.982 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -63.05 165.48 6.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.419 ' CE3' ' HA ' ' A' ' 118' ' ' ALA . 81.7 m95 -143.77 179.61 7.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -160.95 94.04 1.47 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.98 141.39 44.2 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.434 2.089 . . . . 0.0 112.243 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.94 127.45 74.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.426 ' CD2' ' HB3' ' A' ' 114' ' ' MET . 5.3 m-85 -116.1 125.97 53.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.05 131.44 14.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.35 45.3 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 62.91 28.13 71.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -125.05 -179.94 4.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.791 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.426 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 2.4 ptp -153.49 156.25 37.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -167.55 112.08 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.686 ' H ' HD11 ' A' ' 145' ' ' ILE . 12.7 tp -63.79 128.5 36.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.0 tp -110.73 125.09 53.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.419 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -68.78 168.53 13.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.5 t -68.56 -12.25 61.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.244 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -94.92 24.01 5.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.167 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 55.55 30.92 16.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.829 0.347 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.559 ' HB3' ' HB1' ' A' ' 134' ' ' ALA . 7.2 m -133.02 126.57 32.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.55 ' CD2' ' HB2' ' A' ' 139' ' ' ALA . 68.1 m-85 -60.59 176.73 0.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.767 HD12 ' HE2' ' A' ' 31' ' ' MET . 12.3 pt -102.87 156.78 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -163.09 155.84 18.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.622 ' CB ' HD13 ' A' ' 47' ' ' LEU . 7.2 p -110.21 126.54 54.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -75.39 165.13 25.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.45 -31.44 53.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.42 -39.09 65.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.032 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 129.9 55.14 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -149.13 117.25 6.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.414 HG13 HG23 ' A' ' 37' ' ' ILE . 28.8 mm -81.17 104.15 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.147 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.72 175.16 5.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.559 ' HB1' ' HB3' ' A' ' 122' ' ' CYS . . . -96.81 136.99 36.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.91 164.24 12.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.771 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -55.55 172.53 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.01 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -59.3 -46.93 87.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 61.8 p -60.52 99.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.55 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . . . -86.29 119.14 26.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.045 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -71.84 176.76 39.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -64.2 -35.79 81.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -83.44 -27.06 29.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -28.07 54.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.019 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.5 mmt -58.01 154.28 12.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.718 HD13 HD11 ' A' ' 124' ' ' ILE . 22.1 pt -135.26 177.5 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -131.82 114.55 14.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 3.3 mt -96.99 113.75 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.103 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -103.17 145.34 30.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.526 ' HA ' HG22 ' A' ' 27' ' ' ILE . 41.5 t -119.0 153.44 34.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 11.6 p -126.51 35.8 4.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.61 147.02 24.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -60.28 115.71 3.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.57 132.89 43.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -149.2 37.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 36.6 p . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.943 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 N-CA-C 112.589 -0.204 . . . . 0.0 112.589 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -168.17 123.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t 60.48 166.32 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.47 -45.52 1.63 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -159.44 -48.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.901 0.381 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -114.87 -176.06 2.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.38 100.83 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.525 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.8 tp -87.29 86.02 7.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.36 121.37 17.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 15' ' ' TRP . 5.0 tt -133.4 125.72 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.56 95.38 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.129 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.45 -69.85 0.52 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.531 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.412 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.8 pt -149.45 30.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.373 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.412 ' CD1' HG13 ' A' ' 13' ' ' ILE . 84.8 m95 -135.65 103.29 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.453 ' HB3' HD12 ' A' ' 10' ' ' ILE . 57.2 p-90 -100.4 129.85 46.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.5 m -68.64 133.08 47.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.969 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.724 HG21 HG12 ' A' ' 23' ' ' ILE . 10.4 m -72.4 152.35 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -111.2 -32.88 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -122.46 -178.4 3.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.616 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 28.7 t80 -80.54 -33.85 35.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.88 -28.07 72.17 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.539 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' HB3' HG12 ' A' ' 17' ' ' VAL . 4.3 mm-40 -71.47 -34.12 69.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.724 HG12 HG21 ' A' ' 17' ' ' VAL . 31.1 mt -71.07 106.41 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -168.44 130.6 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.45 -156.4 28.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.3 m -60.16 132.83 55.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.479 HD11 HD21 ' A' ' 76' ' ' LEU . 2.4 pt -144.73 174.51 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.41 111.32 6.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.49 HG22 ' N ' ' A' ' 30' ' ' GLU . 3.4 mt -88.63 158.39 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.037 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.49 ' N ' HG22 ' A' ' 29' ' ' ILE . 42.3 tt0 -143.18 103.38 4.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.768 ' HA ' HG22 ' A' ' 145' ' ' ILE . 15.7 mtt -69.21 -75.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.52 179.97 6.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -77.82 80.36 4.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.44 -28.17 7.64 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.574 ' HB1' ' HG ' ' A' ' 47' ' ' LEU . . . -77.8 145.38 36.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.785 0.326 . . . . 0.0 111.172 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -123.12 167.3 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.5 mt -84.29 112.12 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -93.63 150.72 20.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -107.59 146.4 31.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.526 HD12 ' HB2' ' A' ' 44' ' ' LEU . 89.9 mt -114.33 151.26 33.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -74.08 -34.44 64.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -59.65 -30.33 68.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.48 37.77 0.71 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.528 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.526 ' HB2' HD12 ' A' ' 40' ' ' LEU . 4.2 mt -140.82 179.99 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.492 ' CE2' HD21 ' A' ' 84' ' ' LEU . 42.6 m-85 -140.55 137.9 34.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.9 t -135.75 161.15 36.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.574 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 12.4 tp -68.56 124.91 24.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.56 155.36 39.42 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.01 114.07 16.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.547 0.213 . . . . 0.0 111.076 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.455 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 63.0 Cg_exo -51.37 177.04 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.438 2.092 . . . . 0.0 112.42 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -110.42 144.61 38.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -71.83 -54.32 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.49 147.37 49.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.67 -34.99 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -108.29 92.38 4.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.58 131.35 21.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.26 147.61 25.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.426 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.49 157.6 58.49 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.542 2.161 . . . . 0.0 112.398 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.41 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . 21.0 m -80.3 162.95 59.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.681 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.491 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 41.8 Cg_exo -55.27 -45.89 36.85 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.495 2.13 . . . . 0.0 112.639 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 60' ' ' PRO . 50.7 Cg_exo -52.22 -27.53 30.53 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.537 2.158 . . . . 0.0 112.331 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.422 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 8.3 mt-10 -91.03 -23.78 20.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -64.27 116.0 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 111.015 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.534 ' CE1' HD11 ' A' ' 84' ' ' LEU . 95.4 m-85 -104.44 -179.98 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.89 120.71 16.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.77 153.02 18.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.9 130.13 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -70.72 146.96 49.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.597 HD11 ' HB2' ' A' ' 75' ' ' ALA . 42.5 mt -134.56 -72.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.7 p 179.93 153.63 0.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.06 37.37 26.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.986 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m 61.21 31.11 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mmm-85 -106.99 112.82 25.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.616 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 4.4 pt -102.48 158.15 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.19 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.597 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -114.68 122.78 47.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.082 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.86 ' HB3' HD12 ' A' ' 84' ' ' LEU . 15.8 mt -88.22 154.34 20.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.0 129.26 23.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.414 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . 99.1 p -65.15 150.44 48.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.31 -26.65 56.77 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.608 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -68.96 -38.18 79.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 140.31 -15.97 2.96 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.708 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -81.24 173.5 12.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.806 0.336 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -109.81 143.02 40.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.86 HD12 ' HB3' ' A' ' 76' ' ' LEU . 35.2 mt -76.69 115.32 16.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.831 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.73 121.66 2.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.551 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.718 HD13 ' ND2' ' A' ' 120' ' ' ASN . 2.5 pp -70.28 121.54 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.34 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.64 174.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.8 -39.85 63.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.5 -29.49 67.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 115.8 30.81 2.07 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.55 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 133' ' ' GLU . 5.4 tp -116.77 129.65 56.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.33 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.421 HG22 HG22 ' A' ' 86' ' ' ILE . 22.2 t -75.73 115.86 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.3 m -135.6 -179.93 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.52 99.01 0.18 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.559 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -149.7 49.12 0.94 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 m -145.44 143.78 30.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.976 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.59 31.4 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -144.47 161.4 39.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.8 mt -94.99 96.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -93.63 163.45 26.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.449 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.5 -41.12 69.85 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.59 2.193 . . . . 0.0 112.26 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.0 mtt-85 -67.45 -29.69 69.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.001 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.47 -27.75 64.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -58.67 135.64 57.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.567 ' CD1' HD12 ' A' ' 76' ' ' LEU . 86.0 m95 -120.77 136.92 54.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -110.19 93.22 14.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.043 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.0 165.09 32.42 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.446 2.097 . . . . 0.0 112.201 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -150.1 151.72 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.226 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -129.96 119.17 22.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -138.22 115.82 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 59.33 29.81 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.08 -35.73 4.21 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.547 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -69.51 -179.99 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.745 0.307 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.2 ptp -163.79 156.79 18.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -151.43 120.5 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.066 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.627 ' HB2' HD11 ' A' ' 145' ' ' ILE . 0.6 OUTLIER -68.85 122.8 19.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.9 tp -105.9 123.24 47.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.47 165.24 6.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.039 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.6 t -69.68 -13.05 62.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.371 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.718 ' ND2' HD13 ' A' ' 86' ' ' ILE . 40.7 p30 -96.25 26.43 4.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.758 0.313 . . . . 0.0 111.186 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.5 m 55.97 47.2 20.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.03 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.512 ' HB2' ' HB1' ' A' ' 134' ' ' ALA . 74.7 m -147.63 123.44 10.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -66.17 152.63 44.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.716 HD11 HD13 ' A' ' 145' ' ' ILE . 39.6 pt -80.17 158.42 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -173.64 143.57 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.55 ' SG ' HD13 ' A' ' 47' ' ' LEU . 30.4 p -103.66 153.1 21.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -95.6 161.99 13.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -31.28 66.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.931 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.51 -49.97 13.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 144.08 62.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -154.63 107.16 2.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.6 mt -87.12 113.38 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.503 ' HB3' HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -128.2 167.39 16.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 122' ' ' CYS . . . -77.98 101.44 6.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.05 173.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.97 168.79 1.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -61.76 -31.31 71.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 20.5 p -67.63 115.97 7.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -95.87 108.94 21.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.57 176.99 44.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -60.41 -50.34 73.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -67.45 -29.28 68.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.041 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -30.22 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.9 mmt -59.99 116.14 3.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.768 HG22 ' HA ' ' A' ' 31' ' ' MET . 45.5 pt -98.93 172.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.186 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -129.88 108.39 10.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.479 ' O ' HG22 ' A' ' 17' ' ' VAL . 25.3 mt -84.61 121.74 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 10.4 mtt-85 -102.04 175.52 5.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 44.7 t -152.61 150.29 29.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' CYS . . . . . 0.41 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 28.5 p -126.32 34.95 4.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -74.92 -174.84 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -100.67 110.28 22.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 21.0 mtm105 -85.56 140.2 30.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -139.33 77.32 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.933 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.66 -71.97 0.12 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.815 0.341 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 60.45 80.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.98 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.38 -134.3 36.1 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.556 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 p -126.72 148.01 49.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -130.82 143.2 50.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.46 102.71 1.85 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.472 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.67 144.27 31.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -129.7 93.48 3.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.513 HD12 ' HB3' ' A' ' 15' ' ' TRP . 10.1 tt -99.91 128.4 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.088 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -121.93 97.97 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.53 -90.18 0.94 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.388 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.426 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.2 pt -132.51 31.19 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 111.066 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.426 ' CD1' HG13 ' A' ' 13' ' ' ILE . 64.9 m95 -138.56 121.3 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.513 ' HB3' HD12 ' A' ' 10' ' ' ILE . 48.7 p-90 -117.66 139.06 51.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.458 HG21 ' HE2' ' A' ' 146' ' ' LYS . 0.3 OUTLIER -70.67 128.02 34.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 m -65.39 164.16 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.4 t -104.23 -38.59 6.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -149.56 179.28 8.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 72' ' ' SER . 81.0 t80 -58.16 -43.2 87.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.051 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.54 -24.52 39.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.632 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -81.43 -29.87 33.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.4 mt -68.92 102.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 m -160.84 116.75 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.66 -155.36 17.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 m -69.14 125.55 27.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.344 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.3 pt -140.76 159.15 24.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.0 151.18 49.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.472 HD11 ' CD1' ' A' ' 76' ' ' LEU . 4.6 mt -112.71 141.96 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -133.35 105.0 6.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.9 mtp -75.58 -60.73 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.666 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 0.9 OUTLIER -90.95 163.4 14.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -73.61 82.44 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.5 -29.6 5.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . . . -89.5 153.96 20.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -136.66 160.48 38.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.9 mt -73.53 107.78 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -87.46 154.79 20.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.419 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -110.38 155.57 21.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 39' ' ' ALA . 76.9 mt -130.6 131.81 45.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -60.03 -30.25 69.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -57.87 -28.36 64.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.38 32.94 1.4 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 mt -141.69 166.79 23.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CE2' HD21 ' A' ' 84' ' ' LEU . 14.7 m-85 -129.54 123.04 30.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.481 ' C ' HD11 ' A' ' 132' ' ' ILE . 2.9 t -116.22 171.7 7.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.792 HD13 ' SG ' ' A' ' 126' ' ' CYS . 17.0 tp -89.22 111.25 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.82 137.63 39.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.5 150.56 73.58 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.707 0.289 . . . . 0.0 111.087 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.06 137.25 40.37 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.613 2.209 . . . . 0.0 112.311 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -60.4 163.77 4.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -78.57 -34.44 46.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -91.28 161.8 14.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.78 -65.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -79.8 88.81 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.34 161.13 38.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -108.01 168.51 13.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.91 170.5 15.41 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.583 2.189 . . . . 0.0 112.359 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.38 168.32 11.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.541 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 50.9 Cg_exo -52.32 -48.64 20.76 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.602 2.202 . . . . 0.0 112.693 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 57.0 Cg_endo -70.88 -19.6 30.57 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.25 1.966 . . . . 0.0 112.435 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -86.1 -29.56 23.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.006 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -58.76 145.68 39.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.421 ' CE1' HD11 ' A' ' 84' ' ' LEU . 56.4 m-85 -133.18 159.91 38.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.1 m -120.98 130.49 53.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.43 142.69 27.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -137.83 114.02 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.19 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -67.26 135.04 52.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.498 HD11 ' HB2' ' A' ' 75' ' ' ALA . 10.8 mt -122.9 -72.21 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.81 154.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 t0 55.58 42.57 29.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 0.7 OUTLIER 59.98 29.88 19.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -105.18 120.9 42.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.9 pt -120.12 143.16 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.498 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -108.1 120.98 43.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.06 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.472 ' CD1' HD11 ' A' ' 29' ' ' ILE . 74.6 mt -75.03 173.09 11.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -154.57 117.52 4.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.9 p -62.97 146.59 52.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.34 -28.09 61.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.572 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -63.99 -39.03 93.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.325 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.47 43.26 0.25 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.521 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -139.75 176.51 8.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -111.02 131.93 54.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.565 HD21 ' CE2' ' A' ' 45' ' ' PHE . 82.3 mt -75.72 111.72 11.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.49 127.0 3.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.542 HD13 ' ND2' ' A' ' 120' ' ' ASN . 2.5 pp -63.65 162.46 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -101.31 172.42 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.1 p -62.52 -33.35 74.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.43 -45.54 53.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 128.57 42.34 0.25 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.551 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.8 tp -122.13 121.47 36.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.93 101.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.6 m -116.16 176.19 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.68 97.32 0.18 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.541 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.73 86.02 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -177.03 111.5 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -62.89 -31.64 72.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.83 176.14 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.9 mt -107.37 86.81 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -77.6 166.84 53.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.68 -42.4 62.8 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.551 2.167 . . . . 0.0 112.342 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -64.39 -31.25 72.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 26.7 mp0 -70.11 -28.66 65.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -62.88 146.31 53.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.005 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 83.0 m95 -130.14 -179.92 5.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -155.45 90.65 2.88 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.34 155.55 9.37 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.568 2.179 . . . . 0.0 112.206 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.5 t -141.15 157.03 22.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.445 ' N ' HG12 ' A' ' 108' ' ' VAL . 95.8 m-85 -143.91 116.79 8.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -129.14 105.39 8.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 59.69 39.66 20.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.27 -40.91 2.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.435 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -61.59 -180.0 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.742 0.306 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 2.9 ptp -158.89 141.97 14.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -140.45 121.51 14.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.068 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.48 119.01 19.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.7 tp -100.93 131.26 46.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.513 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -73.22 168.01 20.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.6 t -64.38 -15.38 60.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.189 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.542 ' ND2' HD13 ' A' ' 86' ' ' ILE . 41.7 p30 -95.24 23.88 5.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.207 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.9 43.36 30.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.174 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.416 ' HB3' ' HB1' ' A' ' 134' ' ' ALA . 1.6 m -145.11 121.92 11.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.656 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 65.7 m-85 -59.48 173.05 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 24.3 pt -107.9 145.27 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.227 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 34.7 ttt-85 -160.41 131.46 5.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.792 ' SG ' HD13 ' A' ' 47' ' ' LEU . 22.3 p -87.2 161.49 18.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.962 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -109.37 152.58 25.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.69 -29.97 67.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.5 -36.75 76.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 138.06 -21.44 3.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.594 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.47 149.78 45.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 0.0 110.941 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.481 HD11 ' C ' ' A' ' 46' ' ' THR . 30.9 mt -128.67 108.47 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.038 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.39 171.16 8.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.416 ' HB1' ' HB3' ' A' ' 122' ' ' CYS . . . -88.2 131.73 34.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.47 170.65 15.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.95 -179.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -60.29 -31.43 70.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.1 p -69.5 130.51 42.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.656 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -108.54 107.19 17.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.64 174.74 47.86 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.69 -32.66 74.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.69 -30.88 20.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.978 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -26.75 64.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.3 mmt -57.1 163.05 2.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.899 0.38 . . . . 0.0 110.966 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 2.4 pt -133.38 179.52 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.458 ' HE2' HG21 ' A' ' 16' ' ' THR . 7.4 mtpt -136.89 100.72 4.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 21.4 mt -84.17 113.56 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -107.35 142.98 36.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.7 t -117.66 146.36 43.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' CYS . . . . . 0.407 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 29.1 p -107.97 33.33 4.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -73.72 141.64 46.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.72 111.27 3.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -69.65 -178.2 1.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -139.41 79.26 1.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.956 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.146 0 N-CA-C 112.551 -0.22 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.71 131.43 36.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.353 . . . . 0.0 110.832 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.3 p -121.8 148.04 45.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.86 71.3 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -109.21 -30.86 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t 61.33 161.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.13 58.89 0.21 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.44 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.0 tp -145.14 122.02 11.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.339 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -101.17 126.35 47.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 10' ' ' ILE . 2.5 tt -128.47 124.01 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.6 t -122.34 104.73 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.046 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.27 -77.6 0.12 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 pt -145.85 30.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -132.42 123.17 26.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -124.18 140.79 52.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 m -74.38 141.9 45.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.454 HG21 HG12 ' A' ' 23' ' ' ILE . 31.5 m -82.17 173.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.84 -44.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -128.18 166.99 17.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.656 ' HA ' HD12 ' A' ' 23' ' ' ILE . 78.9 t80 -61.58 -35.56 78.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.75 -26.06 53.01 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -89.1 -28.4 20.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.731 0.301 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 20' ' ' PHE . 54.0 mt -65.42 106.68 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.048 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.0 t -172.48 144.67 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.7 -148.41 19.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -86.33 114.43 23.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.584 HD12 HG23 ' A' ' 147' ' ' ILE . 5.4 pt -129.01 139.53 51.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.32 154.62 18.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.3 mp -128.34 130.45 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 16.3 tt0 -115.96 115.93 27.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.412 ' HE1' HG23 ' A' ' 132' ' ' ILE . 19.1 mtt -84.59 -60.86 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.47 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 2.2 m-20 -88.02 175.91 7.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.04 80.98 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.82 -32.22 6.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.543 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . . . -85.4 134.25 34.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.848 0.356 . . . . 0.0 111.074 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.414 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 50.3 m-85 -111.6 177.02 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.6 mt -79.96 121.38 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -105.67 133.54 50.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.408 ' HA ' ' CD2' ' A' ' 45' ' ' PHE . . . -85.14 135.37 34.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.9 mt -100.18 179.28 4.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -105.54 -10.18 17.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.41 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -97.0 30.03 2.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.758 0.313 . . . . 0.0 111.039 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.7 34.07 87.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.568 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.648 HD23 HG12 ' A' ' 93' ' ' VAL . 34.6 mt -134.3 179.8 6.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.728 0.299 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.408 ' CD2' ' HA ' ' A' ' 39' ' ' ALA . 31.0 m-85 -147.04 111.0 5.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t -104.16 174.23 5.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.7 tp -80.46 111.53 16.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.7 150.91 41.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.442 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.92 137.62 90.62 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.634 0.254 . . . . 0.0 111.026 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.83 128.37 14.96 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.506 2.137 . . . . 0.0 112.249 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -60.46 169.97 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 ptt85 -103.0 -41.19 6.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -79.72 130.84 35.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.96 -41.66 86.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.74 73.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.958 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.37 156.01 42.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -96.88 157.43 21.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.89 152.38 73.64 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.617 2.211 . . . . 0.0 112.302 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.4 ' HB3' ' HD2' ' A' ' 60' ' ' PRO . 1.2 m -68.06 168.81 11.74 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.508 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 48.8 Cg_exo -54.92 -47.84 24.44 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.612 2.208 . . . . 0.0 112.622 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 73.7 Cg_endo -75.87 -26.86 9.16 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.195 1.93 . . . . 0.0 112.337 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -69.1 -31.6 70.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -72.47 123.52 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.505 ' HB3' HD22 ' A' ' 76' ' ' LEU . 88.7 m-85 -112.31 149.0 33.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.36 120.23 41.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.06 145.57 25.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.036 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.03 107.82 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.432 ' HE3' ' CE2' ' A' ' 20' ' ' PHE . 25.1 mtpt -59.87 146.3 42.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 75' ' ' ALA . 22.1 mt -129.73 -68.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.3 m -178.89 154.94 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 t0 59.81 37.08 22.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 10.9 m 60.3 51.88 5.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.4 mmm-85 -128.61 137.01 51.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.1 pt -123.25 151.45 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.431 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -110.32 103.71 12.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 64' ' ' PHE . 14.3 mt -70.12 152.39 44.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -138.41 120.25 15.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.3 p -61.16 152.31 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.39 -28.89 67.94 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -63.02 -31.26 72.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.87 36.51 0.96 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.584 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -131.61 161.75 31.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -95.38 124.9 39.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.484 HD12 ' HB3' ' A' ' 76' ' ' LEU . 14.4 mt -59.58 114.97 2.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -124.61 157.05 18.84 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.759 HD13 ' HB1' ' A' ' 118' ' ' ALA . 21.4 pt -109.92 136.55 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 111.159 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -74.46 164.4 26.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -69.11 -31.23 69.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.76 -31.47 68.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 118.28 38.62 0.79 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.541 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.476 HD12 ' HB3' ' A' ' 133' ' ' GLU . 4.8 tp -128.49 120.2 26.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.0 t -62.98 117.24 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.054 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.648 HG12 HD23 ' A' ' 44' ' ' LEU . 10.8 m -142.6 131.59 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -101.91 104.96 2.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.527 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -172.64 63.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.942 0.401 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.5 t -123.27 -39.54 2.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.042 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 66.35 31.62 8.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.72 142.51 0.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.4 mt -68.0 96.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.077 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -103.85 169.96 18.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.07 -51.78 9.43 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.574 2.182 . . . . 0.0 112.323 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.0 mtt85 -61.39 -33.72 74.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -62.6 -27.84 69.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -60.96 143.47 55.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.451 ' HB3' HD11 ' A' ' 116' ' ' LEU . 88.4 m95 -125.92 159.36 32.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.77 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -135.87 97.47 12.47 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.019 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.86 143.88 51.71 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.473 2.115 . . . . 0.0 112.215 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.5 148.59 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.202 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.432 ' CZ ' HD11 ' A' ' 23' ' ' ILE . 36.4 m-85 -125.02 128.96 49.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.79 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.95 122.89 15.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 59.41 30.63 20.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.83 -36.86 3.63 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -61.37 -179.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.426 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 10.1 ptp -151.04 145.74 25.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.49 157.88 43.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.451 HD11 ' HB3' ' A' ' 105' ' ' TRP . 20.6 tp -111.08 100.47 9.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.981 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.8 tp -79.13 131.38 36.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.759 ' HB1' HD13 ' A' ' 86' ' ' ILE . . . -76.01 169.72 17.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.5 t -71.7 -9.48 58.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -95.75 24.75 5.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.645 0.259 . . . . 0.0 111.198 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.7 p 54.36 32.53 16.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.812 0.339 . . . . 0.0 111.112 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.774 ' HB3' ' HB1' ' A' ' 134' ' ' ALA . 95.3 m -133.66 139.66 46.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.418 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 23.2 m-85 -77.49 151.05 34.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.2 pt -89.18 158.25 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.503 ' O ' HG23 ' A' ' 132' ' ' ILE . 9.8 ptm180 -177.17 158.86 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 14.8 p -102.94 179.05 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -130.22 152.19 49.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.31 -31.62 70.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.815 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.85 -31.24 66.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.073 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 117.28 50.19 0.39 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -145.37 137.44 25.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.503 HG23 ' O ' ' A' ' 125' ' ' ARG . 31.8 mt -108.74 122.16 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.476 ' HB3' HD12 ' A' ' 91' ' ' LEU . 0.8 OUTLIER -142.32 170.92 14.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.774 ' HB1' ' HB3' ' A' ' 122' ' ' CYS . . . -74.41 176.92 6.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.8 167.84 27.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -57.09 165.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -58.96 -30.58 68.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.2 p -62.75 101.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.418 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -86.45 118.49 25.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -88.18 179.67 46.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.554 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -68.26 -31.15 70.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.784 0.326 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -80.43 -36.07 34.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -30.43 69.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 23.8 mmt -59.07 134.43 56.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 3.9 pt -109.28 178.0 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -129.31 98.41 4.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.584 HG23 HD12 ' A' ' 27' ' ' ILE . 22.8 mt -80.52 105.37 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -98.08 138.84 34.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.7 t -112.45 149.42 32.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 26.4 p -131.1 35.99 3.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -75.03 170.41 16.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.11 103.83 7.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.08 167.03 15.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -102.77 123.8 47.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.86 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -106.47 136.26 46.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.55 109.51 3.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.69 -84.77 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -63.38 -67.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.835 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.74 31.31 20.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.35 -153.67 18.96 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.457 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 tp -150.21 112.14 4.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.19 84.05 7.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.503 ' O ' HG23 ' A' ' 10' ' ' ILE . 8.7 tt -79.3 118.79 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.057 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.3 106.76 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.89 -83.59 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.406 HG13 ' CD1' ' A' ' 14' ' ' TRP . 0.9 OUTLIER -141.09 31.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 111.053 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.412 ' CE2' ' HD2' ' A' ' 58' ' ' PRO . 49.0 m95 -136.9 117.38 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.2 p-90 -103.2 128.65 50.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.5 m -60.25 137.07 58.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.421 HG11 HG12 ' A' ' 23' ' ' ILE . 13.0 m -76.57 167.94 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.229 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.2 m -119.02 -41.03 2.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.952 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -134.49 175.01 9.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.768 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 60.3 t80 -58.97 -44.53 91.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.04 -26.79 49.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.681 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -70.37 -38.83 74.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.515 HG23 HG21 ' A' ' 27' ' ' ILE . 39.9 mt -73.36 116.73 16.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.46 115.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.98 -156.34 19.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 m -60.57 114.47 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.515 HG21 HG23 ' A' ' 23' ' ' ILE . 2.6 pt -127.43 166.34 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.5 137.64 48.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.081 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.446 HG23 HD12 ' A' ' 145' ' ' ILE . 23.2 mt -108.3 143.82 17.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -131.4 115.53 16.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.636 ' HA ' HG22 ' A' ' 145' ' ' ILE . 5.5 mtt -93.12 -45.5 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.487 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 2.5 t70 -107.13 171.06 7.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -78.74 85.78 4.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.25 -30.68 6.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.529 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.487 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . . . -87.11 145.13 26.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -124.83 169.06 12.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.41 HD12 ' HB ' ' A' ' 29' ' ' ILE . 30.1 mt -74.77 113.84 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.17 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -102.1 147.49 26.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.593 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -115.92 140.39 49.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.556 HD13 HD21 ' A' ' 42' ' ' ASN . 40.6 mt -98.12 156.15 16.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -65.94 -31.81 72.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.556 HD21 HD13 ' A' ' 40' ' ' LEU . 11.2 p30 -66.87 -31.2 71.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.13 -25.47 4.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.591 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.8 mt -71.4 170.32 13.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.68 ' HB3' HD12 ' A' ' 132' ' ' ILE . 20.6 m-85 -134.04 146.56 50.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -145.03 152.85 40.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.581 HD13 ' SG ' ' A' ' 126' ' ' CYS . 37.7 tp -64.08 108.84 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.32 174.04 5.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.66 150.38 40.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.734 0.302 . . . . 0.0 111.08 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.9 158.05 58.08 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.471 2.114 . . . . 0.0 112.298 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -90.07 160.06 16.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -62.64 1.5 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -68.48 161.46 27.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.4 p -86.27 -31.7 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -109.77 86.58 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -148.11 139.08 23.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.87 160.29 51.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.422 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.412 ' HD2' ' CE2' ' A' ' 14' ' ' TRP . 54.7 Cg_endo -69.84 177.68 5.39 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.514 2.142 . . . . 0.0 112.298 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.411 ' HB3' ' HD2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -95.18 171.15 6.88 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.557 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 64.3 Cg_exo -50.21 -50.3 13.85 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.567 2.178 . . . . 0.0 112.77 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 37.5 Cg_endo -65.93 -24.88 52.82 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.124 1.883 . . . . 0.0 112.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.405 ' O ' ' CE1' ' A' ' 64' ' ' PHE . 3.8 mt-10 -81.21 -30.91 34.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -76.17 122.94 25.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.471 ' CD2' HD11 ' A' ' 84' ' ' LEU . 82.6 m-85 -109.85 161.93 14.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.1 m -111.26 118.4 35.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.452 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -90.68 135.86 33.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.2 t -128.16 123.16 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.18 144.19 50.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.4 mt -132.76 -73.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.99 157.46 0.69 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.787 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 59.09 31.56 21.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.2 33.59 16.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.5 103.18 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.768 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 19.4 pt -95.61 153.94 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -108.51 126.89 53.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.016 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.697 ' HB3' HD12 ' A' ' 84' ' ' LEU . 13.9 mt -89.52 164.79 14.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.964 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.3 tttm -157.26 124.83 5.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.427 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -67.71 147.5 52.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.76 -28.31 65.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -60.43 -38.01 82.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.339 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.61 46.48 0.21 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -149.12 149.54 31.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -88.75 139.12 30.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.697 HD12 ' HB3' ' A' ' 76' ' ' LEU . 55.7 mt -78.01 111.9 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -134.05 127.17 4.47 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.7 pp -69.8 151.27 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 111.109 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -87.11 166.58 14.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 63.7 p -61.42 -32.34 72.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.3 -30.99 65.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 117.92 35.06 1.08 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 tp -114.4 142.76 45.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.9 121.16 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.4 m -139.35 179.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.143 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -155.06 85.67 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.56 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -156.26 31.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.839 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.7 -38.83 6.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.75 31.71 20.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.63 143.16 29.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 26.1 mt -83.91 77.46 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -99.57 173.64 26.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.538 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.412 ' HA ' ' HG3' ' A' ' 104' ' ' GLN . 53.9 Cg_exo -52.03 -36.7 66.19 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.639 2.226 . . . . 0.0 112.285 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -71.63 -36.02 70.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.408 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 9.6 mp0 -70.82 -24.15 62.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.212 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.412 ' HG3' ' HA ' ' A' ' 101' ' ' PRO . 10.7 mt-30 -57.35 150.2 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 0.0 111.097 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.696 ' CD1' HD12 ' A' ' 76' ' ' LEU . 98.5 m95 -138.53 135.27 34.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.79 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -124.65 95.34 42.91 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.969 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.29 144.95 58.29 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.478 2.118 . . . . 0.0 112.304 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.74 131.64 64.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.232 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -110.61 120.91 43.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -150.02 134.26 17.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 59.25 47.59 11.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 57.61 25.74 55.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.607 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -127.07 177.01 6.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.351 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -152.92 129.02 10.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.68 124.24 22.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.066 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.675 HD21 HD11 ' A' ' 76' ' ' LEU . 4.8 tp -68.01 131.16 44.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.5 tp -102.85 128.13 49.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.975 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.538 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -78.34 163.42 25.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.7 t -58.23 -20.9 45.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.538 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 34.4 p-10 -96.36 24.2 6.01 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.37 41.48 31.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.871 0.367 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 14.4 m -132.04 117.64 18.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.414 ' CD2' ' HB2' ' A' ' 139' ' ' ALA . 62.8 m-85 -60.23 139.79 57.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.55 HD11 HD13 ' A' ' 145' ' ' ILE . 23.6 pt -71.66 159.59 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.0 ttt-85 -172.34 155.99 3.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.581 ' SG ' HD13 ' A' ' 47' ' ' LEU . 8.2 p -108.41 128.44 54.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -73.83 173.55 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -84.89 -31.68 23.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.21 -43.92 60.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 136.59 46.11 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -136.92 99.57 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.68 HD12 ' HB3' ' A' ' 45' ' ' PHE . 28.8 mt -73.51 99.29 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -121.09 172.34 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -91.99 114.12 26.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.052 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.56 171.51 7.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -60.28 179.44 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -60.54 -30.61 69.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.99 116.72 6.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.414 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . . . -100.65 103.64 14.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.08 179.97 37.98 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.63 -32.42 73.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -86.28 -29.05 23.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -30.27 65.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 24.4 mmt -59.46 154.32 17.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.636 HG22 ' HA ' ' A' ' 31' ' ' MET . 18.4 pt -130.0 157.61 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -112.34 87.16 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 4.8 mt -75.18 130.35 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 33.9 mtt-85 -124.76 175.47 7.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.3 t -144.98 156.74 44.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 9.8 p -120.9 31.57 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -83.82 -179.75 7.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.5 133.66 54.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 27.3 mtm180 -87.53 137.35 32.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -109.78 116.68 32.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.447 HG23 ' OXT' ' A' ' 155' ' ' THR . 4.3 t . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 p -115.79 118.95 34.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -129.41 -56.43 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.38 54.34 1.36 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.67 165.43 21.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.891 0.377 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -101.35 -64.78 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.63 60.43 0.47 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.456 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 tt -74.51 129.44 37.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.15 111.13 16.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -102.0 113.07 37.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.098 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.513 HG13 ' HA ' ' A' ' 55' ' ' ASP . 21.4 t -115.58 94.12 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.78 -76.08 0.22 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.428 HG13 ' CD1' ' A' ' 14' ' ' TRP . 4.0 pt -140.54 31.25 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.428 ' CD1' HG13 ' A' ' 13' ' ' ILE . 80.2 m95 -136.01 114.51 11.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.565 ' HB3' HD12 ' A' ' 10' ' ' ILE . 53.3 p-90 -114.26 133.87 55.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.9 m -65.98 144.35 56.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.613 HG21 HG12 ' A' ' 23' ' ' ILE . 14.0 m -90.52 158.17 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.099 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -113.71 -36.74 4.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -131.67 173.96 10.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.964 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.689 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 69.2 t80 -59.57 -45.2 92.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.024 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.64 -26.32 45.76 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.691 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.415 ' HB3' HG12 ' A' ' 17' ' ' VAL . 3.9 mt-10 -73.33 -31.51 64.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.784 0.326 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.613 HG12 HG21 ' A' ' 17' ' ' VAL . 34.7 mt -75.37 122.34 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.144 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.2 t -177.01 153.22 0.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.33 -164.28 41.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.475 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.95 122.99 15.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.5 pp -135.76 155.62 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.17 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.41 135.88 54.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.585 ' HB ' HD12 ' A' ' 37' ' ' ILE . 32.5 mt -105.62 140.47 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -125.2 111.79 15.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.485 ' HE2' HD12 ' A' ' 124' ' ' ILE . 32.3 mtt -89.96 -39.73 12.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.491 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 2.4 m-20 -106.29 169.22 8.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -77.72 84.67 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.16 -37.73 3.31 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.45 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . . . -80.97 163.84 23.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.909 0.385 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -139.47 168.49 19.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.585 HD12 ' HB ' ' A' ' 29' ' ' ILE . 15.7 mt -72.99 105.84 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -92.24 112.41 24.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.23 175.89 6.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 mt -140.72 154.84 46.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.958 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -73.57 -36.59 65.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.958 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -58.46 -27.05 64.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.27 24.66 4.07 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.2 mt -121.43 -179.96 4.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.792 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.538 ' CZ ' HD21 ' A' ' 84' ' ' LEU . 33.9 m-85 -141.71 126.87 18.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.052 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 t -124.67 159.11 31.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.79 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.604 HD22 ' SG ' ' A' ' 126' ' ' CYS . 14.4 tp -78.55 104.49 9.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.16 174.12 7.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.405 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.72 148.85 49.79 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.698 0.285 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.66 165.32 32.38 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.557 2.171 . . . . 0.0 112.348 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -94.21 160.67 14.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.38 -41.85 10.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.53 151.13 27.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.35 -64.21 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.513 ' HA ' HG13 ' A' ' 11' ' ' VAL . 0.4 OUTLIER -80.38 79.59 6.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -133.59 158.32 43.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -102.51 151.52 18.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.432 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.65 158.31 53.79 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.526 2.151 . . . . 0.0 112.389 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.421 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . 51.1 m -80.02 164.04 54.76 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.761 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.498 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 50.5 Cg_exo -54.02 -45.08 43.69 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.505 2.136 . . . . 0.0 112.794 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 60' ' ' PRO . 38.3 Cg_exo -59.73 -34.92 95.92 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.527 2.152 . . . . 0.0 112.022 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 34.0 mt-10 -82.92 -30.51 28.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -69.98 117.66 11.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.434 ' CE2' HD11 ' A' ' 84' ' ' LEU . 85.3 m-85 -101.84 174.05 6.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.47 118.37 24.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.38 158.97 21.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 75' ' ' ALA . 21.5 t -152.34 108.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.01 110.68 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.731 HD21 HD13 ' A' ' 99' ' ' ILE . 89.1 mt -92.28 -79.41 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 m 179.93 155.42 0.59 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t0 59.02 42.11 19.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.73 40.25 13.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -122.12 129.62 52.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.689 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 15.1 pt -120.41 145.07 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.553 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -102.71 124.57 48.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.622 HD11 HD21 ' A' ' 116' ' ' LEU . 21.6 mt -89.21 152.28 21.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -144.76 119.19 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 p -60.23 159.9 9.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.1 -32.44 84.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.557 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -61.31 -39.12 89.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 125.11 41.26 0.37 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -136.87 136.6 38.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -76.25 135.2 39.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.538 HD21 ' CZ ' ' A' ' 45' ' ' PHE . 20.7 mt -68.54 116.12 8.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -130.83 119.17 2.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.7 pt -74.17 149.79 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 111.072 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -91.97 168.2 11.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.1 p -73.28 -32.24 64.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.13 -40.89 91.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 127.39 63.34 0.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.525 HD12 ' HB3' ' A' ' 133' ' ' GLU . 1.2 tp -152.92 150.0 28.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.9 t -98.13 104.11 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.048 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.454 HG21 ' NH1' ' A' ' 95' ' ' ARG . 27.2 m -125.23 157.21 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -120.75 104.22 0.96 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.454 ' NH1' HG21 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -169.54 91.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.785 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.7 t -169.74 -42.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.24 33.6 14.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.72 143.77 17.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.083 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.731 HD13 HD21 ' A' ' 69' ' ' LEU . 32.9 mt -77.2 80.21 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -90.2 177.16 42.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.84 -61.17 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.533 2.155 . . . . 0.0 112.412 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -57.76 -31.02 66.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.407 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 1.9 mp0 -64.06 -28.3 69.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -58.64 152.77 17.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.052 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.416 ' CE2' HD12 ' A' ' 76' ' ' LEU . 98.8 m95 -137.02 145.62 44.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -132.09 90.03 36.22 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.1 154.4 70.43 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.521 2.147 . . . . 0.0 112.266 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.3 t -140.24 158.77 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.181 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.476 ' N ' HG12 ' A' ' 108' ' ' VAL . 18.5 m-85 -130.9 129.0 41.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -142.68 128.99 19.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 59.03 26.83 15.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.78 -31.29 7.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.582 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -70.8 178.05 3.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.33 . . . . 0.0 110.954 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.486 ' HG3' HD12 ' A' ' 147' ' ' ILE . 4.0 ptp -147.41 142.55 27.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -137.26 143.58 42.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.622 HD21 HD11 ' A' ' 76' ' ' LEU . 45.1 tp -96.34 90.33 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.7 tp -71.27 131.23 43.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.456 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -76.45 169.43 18.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.8 t -65.67 -14.17 60.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.456 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 47.9 p30 -93.69 20.81 7.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.301 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.88 53.51 8.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.876 0.369 . . . . 0.0 111.04 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.3 m -156.69 136.47 12.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.833 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 49.5 m-85 -67.15 168.19 10.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.498 HD11 HD13 ' A' ' 145' ' ' ILE . 21.1 pt -93.19 159.79 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.24 161.35 19.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.604 ' SG ' HD22 ' A' ' 47' ' ' LEU . 25.0 p -111.96 173.24 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.977 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -127.77 160.77 30.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.48 -37.79 83.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.29 -34.92 73.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.12 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 121.5 38.79 0.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -123.53 101.71 7.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.9 mm -70.02 110.83 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.525 ' HB3' HD12 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -119.82 179.65 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -106.26 122.8 46.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.8 169.66 17.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.817 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.33 177.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -62.81 -31.6 72.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.2 p -58.69 132.33 53.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.833 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -112.96 155.31 25.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.047 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -143.97 173.47 24.75 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.23 -31.67 69.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.367 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -85.88 -31.17 22.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -30.64 69.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.443 ' CE ' ' HB1' ' A' ' 139' ' ' ALA . 23.3 mmt -59.16 139.77 56.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.498 HD13 HD11 ' A' ' 124' ' ' ILE . 3.3 pt -118.15 176.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -129.69 100.1 5.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.486 HD12 ' HG3' ' A' ' 114' ' ' MET . 2.4 mp -81.46 104.61 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.84 149.68 24.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 38.3 t -135.82 133.04 37.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 30.2 p -107.12 31.85 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -82.67 165.68 19.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.44 114.04 4.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -67.86 -178.77 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.17 80.66 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.898 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.7 t 60.61 162.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -97.12 150.42 20.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.39 66.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.54 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -102.12 -31.83 10.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -84.43 -177.15 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.32 97.13 0.67 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.425 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.8 tp -137.63 155.12 49.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.62 108.45 20.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.573 ' O ' HG23 ' A' ' 10' ' ' ILE . 12.6 tt -119.31 113.34 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.653 HG13 ' HA ' ' A' ' 55' ' ' ASP . 21.5 t -99.59 89.85 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.46 -78.33 0.34 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.42 HG13 ' CD1' ' A' ' 14' ' ' TRP . 0.9 OUTLIER -139.35 32.62 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.845 0.355 . . . . 0.0 111.083 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.42 ' CD1' HG13 ' A' ' 13' ' ' ILE . 52.9 m95 -141.76 118.62 11.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 50.8 p-90 -114.83 134.17 55.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.2 m -67.51 125.21 25.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.7 m -70.83 173.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.167 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.33 -48.93 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -112.09 178.1 4.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.661 ' HA ' HD12 ' A' ' 23' ' ' ILE . 69.8 t80 -74.37 -34.24 63.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.994 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.33 -27.6 60.76 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.565 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.79 -29.76 62.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.979 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.714 HG21 HD13 ' A' ' 74' ' ' ILE . 20.1 mt -68.54 105.47 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.25 104.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.819 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.48 -158.67 14.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.439 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.5 m -67.04 132.09 47.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.3 pt -139.2 173.3 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.47 126.16 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.9 mt -105.46 123.41 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.1 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -107.27 111.64 24.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.988 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.446 ' HG3' HD11 ' A' ' 37' ' ' ILE . 4.2 mtt -86.07 -48.32 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.864 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 15.9 t70 -102.39 161.8 13.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -71.16 79.99 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.26 -31.21 5.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.53 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.864 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . . . -86.11 163.42 17.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.766 0.317 . . . . 0.0 111.085 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -136.9 151.98 49.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.446 HD11 ' HG3' ' A' ' 31' ' ' MET . 4.0 mt -66.31 116.43 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -100.04 162.74 12.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.741 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -126.87 141.1 51.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 44' ' ' LEU . 17.9 mt -97.42 154.29 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.94 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -65.8 -31.51 72.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -67.97 -35.52 78.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.17 -26.59 2.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.542 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' HB2' HD12 ' A' ' 40' ' ' LEU . 11.5 mt -67.18 173.17 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.741 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 21.2 m-85 -138.64 134.08 33.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.7 t -126.17 179.89 5.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.554 HD13 ' CB ' ' A' ' 126' ' ' CYS . 8.3 tp -94.21 108.58 20.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.67 163.98 12.98 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.554 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.03 148.68 84.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.681 0.277 . . . . 0.0 111.118 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.74 146.49 54.29 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.624 2.216 . . . . 0.0 112.315 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -75.18 142.11 43.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 -70.03 -37.19 75.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.92 146.83 27.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.01 -49.94 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.653 ' HA ' HG13 ' A' ' 11' ' ' VAL . 77.2 m-20 -110.06 79.09 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -125.74 132.63 52.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.85 150.29 51.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.05 162.09 43.14 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.609 2.206 . . . . 0.0 112.282 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.8 m -75.6 162.05 73.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.803 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.561 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 54.4 Cg_exo -51.29 -48.17 22.45 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.504 2.136 . . . . 0.0 112.618 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 56.3 Cg_endo -70.55 -25.28 25.12 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.136 1.891 . . . . 0.0 112.285 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -78.61 -31.35 47.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.82 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -67.58 134.78 51.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.536 ' CE1' HD11 ' A' ' 84' ' ' LEU . 97.6 m-85 -114.61 158.03 22.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.85 134.92 52.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.15 133.7 49.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.068 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.04 132.12 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.412 ' O ' HD23 ' A' ' 69' ' ' LEU . 2.0 mtpm? -76.16 144.88 40.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.849 HD11 ' HB2' ' A' ' 75' ' ' ALA . 12.5 mt -133.34 -72.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.0 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.3 p 179.82 157.21 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 54.82 36.33 26.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 1.0 OUTLIER 61.23 29.66 18.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -105.91 104.18 13.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.731 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.714 HD13 HG21 ' A' ' 23' ' ' ILE . 35.4 pt -95.2 140.28 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.282 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.849 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -93.94 134.48 36.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.053 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.742 ' HB3' HD12 ' A' ' 84' ' ' LEU . 26.4 mt -96.41 146.26 24.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -132.07 125.32 31.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.797 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.2 p -63.91 158.07 23.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.47 -27.13 57.96 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -72.6 -31.82 65.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.24 -18.62 5.24 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.623 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -70.98 169.62 14.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.83 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -107.07 133.69 51.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.742 HD12 ' HB3' ' A' ' 76' ' ' LEU . 80.7 mt -69.49 130.91 43.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.89 128.23 2.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.5 pt -67.21 166.12 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.903 0.382 . . . . 0.0 111.106 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -111.88 176.51 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.5 p -65.01 -31.34 72.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.69 -34.04 66.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 128.8 -24.4 4.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.592 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tp -56.93 155.88 7.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 111.048 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.72 95.87 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 24.2 m -104.74 168.71 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -136.98 95.92 0.24 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -167.46 107.76 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.75 -39.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.978 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.06 30.57 13.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.811 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.06 -168.8 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.3 mt -122.87 89.82 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.73 -160.04 27.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.54 -45.74 1.09 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.584 2.189 . . . . 0.0 112.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -33.11 75.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.406 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 0.7 OUTLIER -66.03 -19.63 65.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.211 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -71.49 125.52 27.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.848 0.356 . . . . 0.0 111.006 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 93.1 m95 -124.4 141.36 52.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.789 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -119.9 97.82 49.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.952 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.23 153.85 70.74 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.397 2.065 . . . . 0.0 112.242 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.491 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.2 t -140.83 159.41 23.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.293 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.491 ' N ' HG12 ' A' ' 108' ' ' VAL . 51.0 m-85 -133.48 141.34 47.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.77 101.76 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 57.23 47.62 16.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.0 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.91 -45.21 2.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.4 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -60.5 179.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.8 ptp -161.11 153.23 19.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -144.41 163.46 33.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.629 HD21 HD11 ' A' ' 76' ' ' LEU . 10.1 tp -115.91 123.53 48.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.7 tp -105.85 123.26 47.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.808 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.533 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -65.34 165.37 11.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.26 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.51 -16.04 61.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.236 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.533 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 40.9 p30 -94.02 21.33 6.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.271 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.75 52.55 10.69 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.834 0.35 . . . . 0.0 111.083 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.3 m -147.85 125.52 11.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.425 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 45.1 m-85 -63.85 129.45 40.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 37.7 pt -68.17 160.91 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.253 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.81 173.38 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.554 ' CB ' HD13 ' A' ' 47' ' ' LEU . 25.9 p -122.74 157.0 33.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -101.05 173.37 6.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -71.15 -47.85 55.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.85 -31.21 69.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 119.08 51.42 0.29 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.451 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.77 127.08 33.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.322 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 28.0 mm -90.09 108.47 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.34 168.28 11.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -91.42 100.16 12.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -61.23 167.0 3.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.62 -180.0 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -70.04 -29.42 66.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 11.6 p -56.96 127.77 33.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.015 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.425 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -109.37 97.85 7.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -84.73 179.97 51.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -59.53 -49.62 77.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -66.2 -30.5 70.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.95 -31.03 68.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.7 mmt -60.09 147.88 37.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.401 HG22 ' HA ' ' A' ' 31' ' ' MET . 10.0 pt -133.53 174.91 12.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -126.36 105.64 8.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 23.2 mt -89.34 119.56 36.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -104.81 161.32 14.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 7.6 t -144.49 143.26 30.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 25.6 p -110.56 32.61 5.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -71.31 144.71 49.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -71.16 105.53 3.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -73.06 -175.34 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.42 30.74 3.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 8.8 p . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.035 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.1 34.77 4.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.973 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -102.8 -58.82 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.11 130.66 1.53 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.534 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.28 -67.87 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 m -75.64 91.36 2.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.55 -41.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.577 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.687 HD21 ' HB2' ' A' ' 15' ' ' TRP . 7.6 tt -86.61 115.74 24.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -82.25 122.19 27.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.459 HD12 ' HB3' ' A' ' 15' ' ' TRP . 0.9 OUTLIER -116.95 136.3 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.046 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.81 102.94 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.38 -87.42 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.445 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.409 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.4 pt -132.01 30.82 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 111.119 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.409 ' CD1' HG13 ' A' ' 13' ' ' ILE . 68.3 m95 -132.29 139.0 48.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.687 ' HB2' HD21 ' A' ' 8' ' ' LEU . 35.6 p-90 -131.73 138.33 48.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.41 127.5 32.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.932 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 147' ' ' ILE . 31.3 m -64.62 177.85 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -139.43 -47.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -132.02 176.03 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.434 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 10.5 t80 -61.93 -39.74 93.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.21 -28.61 64.48 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.441 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -81.5 -31.53 32.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.488 HG12 HG11 ' A' ' 17' ' ' VAL . 8.8 mt -82.24 95.98 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -158.92 112.6 2.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.19 -156.57 15.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.24 130.6 47.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.426 HG22 ' HB2' ' A' ' 149' ' ' SER . 14.6 pt -146.61 159.45 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.9 137.49 54.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.105 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.534 HD12 ' CD2' ' A' ' 64' ' ' PHE . 4.4 mt -115.17 128.35 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.406 ' OE2' ' CZ ' ' A' ' 36' ' ' TYR . 13.0 tt0 -116.41 104.36 11.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.7 mtt -71.1 -55.71 7.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.547 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 0.8 OUTLIER -91.83 179.74 5.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 tttp -78.09 80.21 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.28 -27.54 8.45 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.551 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.547 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . . . -89.75 145.09 25.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.853 0.359 . . . . 0.0 111.164 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.406 ' CZ ' ' OE2' ' A' ' 30' ' ' GLU . 40.0 m-85 -118.54 174.17 6.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.3 mt -79.07 116.5 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -98.9 149.41 22.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.9 175.09 5.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.09 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.3 mt -145.07 140.43 28.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.62 -30.47 70.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -58.25 -28.53 65.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.39 30.07 2.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.8 mt -135.52 180.0 5.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.745 0.307 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.583 ' CE2' HD21 ' A' ' 84' ' ' LEU . 13.6 m-85 -137.21 126.18 24.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -126.62 157.85 37.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.1 tp -64.57 120.22 11.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.5 154.95 52.8 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . . . -75.75 132.47 74.79 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 120.502 0.191 . . . . 0.0 111.065 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.506 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 50.2 Cg_exo -53.54 173.37 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.446 2.098 . . . . 0.0 112.234 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -103.44 137.04 42.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -31.28 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -103.8 142.17 34.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -69.58 -31.14 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.062 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -104.03 83.44 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -147.79 160.33 42.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -99.7 155.86 19.74 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.454 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.43 145.83 54.36 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.57 2.18 . . . . 0.0 112.357 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.15 163.72 5.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.532 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 58.6 Cg_exo -50.44 -50.8 12.5 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.532 2.155 . . . . 0.0 112.711 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 40.0 Cg_endo -66.94 -25.58 44.71 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.076 1.851 . . . . 0.0 112.242 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 10.2 mt-10 -74.06 -30.02 62.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -68.1 165.4 18.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.802 ' CE1' HD11 ' A' ' 84' ' ' LEU . 79.5 m-85 -150.38 170.49 18.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -133.61 120.73 21.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.16 134.25 35.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.063 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.605 ' HB ' ' HB3' ' A' ' 75' ' ' ALA . 29.3 t -127.84 122.24 58.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.33 126.85 30.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.784 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.778 HD11 ' HB2' ' A' ' 75' ' ' ALA . 74.7 mt -113.65 -75.0 0.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.007 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m -179.99 155.49 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t70 59.33 36.41 23.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m 60.21 57.01 3.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -133.23 125.52 29.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.434 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 27.2 pt -106.33 134.2 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.778 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -92.45 95.18 9.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.503 ' HB3' HD12 ' A' ' 84' ' ' LEU . 20.3 mt -65.68 152.81 43.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -147.5 122.33 9.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 p -65.21 150.4 48.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.22 -28.23 68.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -59.97 -30.84 69.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.85 37.76 0.75 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.508 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -136.33 165.2 26.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -100.54 122.91 44.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.802 HD11 ' CE1' ' A' ' 64' ' ' PHE . 27.9 mt -63.19 110.53 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.81 128.83 4.23 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.532 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.2 pt -66.29 166.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -98.58 171.01 8.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.6 p -74.29 -31.69 62.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -75.01 -39.91 60.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.13 55.3 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.652 HD12 ' HB3' ' A' ' 133' ' ' GLU . 1.8 tp -146.0 130.28 17.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 110.956 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.56 120.35 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.0 m -136.65 176.24 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.25 93.5 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.5 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.5 ptt85 -147.93 31.78 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.817 0.341 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.14 130.85 51.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -98.6 31.17 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -137.03 -169.45 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.6 mt -127.34 85.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.2 -170.33 32.1 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.76 -28.74 30.08 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.554 2.169 . . . . 0.0 112.325 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 -79.01 -31.41 44.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -76.1 -16.57 59.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.223 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -74.91 157.1 35.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.847 0.356 . . . . 0.0 111.058 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.414 ' CE3' ' HA ' ' A' ' 118' ' ' ALA . 84.4 m95 -141.58 175.68 9.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.745 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -148.11 100.23 3.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.082 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.23 126.8 13.4 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.524 2.149 . . . . 0.0 112.235 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.5 t -113.62 158.16 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.24 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.477 ' N ' HG12 ' A' ' 108' ' ' VAL . 58.9 m-85 -137.03 132.67 34.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -140.67 101.15 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 59.28 41.26 20.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.34 -42.43 2.15 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -60.38 175.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 4.7 ptp -156.6 151.98 26.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -151.23 116.57 5.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.508 ' HB2' HD11 ' A' ' 145' ' ' ILE . 15.4 tp -69.55 95.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 123' ' ' PHE . 8.5 tp -81.61 123.15 28.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.493 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -59.85 170.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.8 t -73.78 -7.97 54.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.294 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.493 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 44.3 p30 -96.33 25.13 5.18 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.705 0.288 . . . . 0.0 111.095 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.1 p 54.9 34.75 22.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.156 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 3.1 m -139.54 122.05 16.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.504 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 73.8 m-85 -59.86 163.15 4.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.415 ' CD1' HD23 ' A' ' 116' ' ' LEU . 27.2 pt -112.1 159.51 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.36 162.39 6.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.4 p -105.1 152.59 22.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -105.52 173.92 6.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -90.45 -31.3 16.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.17 99.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 134.99 51.79 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.579 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -155.65 148.8 24.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 26.3 mt -126.78 97.12 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.652 ' HB3' HD12 ' A' ' 91' ' ' LEU . 3.6 pt-20 -115.64 179.59 3.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -101.82 122.44 43.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.32 175.47 10.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -59.89 177.8 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -59.49 -26.78 65.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.54 117.7 4.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.504 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -94.07 115.15 27.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -100.79 173.0 24.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -63.57 -31.67 72.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.28 -30.83 43.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.78 -30.43 67.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.4 mmt -58.77 145.42 40.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.508 HD11 ' HB2' ' A' ' 116' ' ' LEU . 4.6 pt -130.81 158.54 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.059 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -98.85 86.53 3.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.536 ' O ' HG22 ' A' ' 17' ' ' VAL . 24.2 mt -76.71 105.77 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.198 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -99.48 179.61 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.426 ' HB2' HG22 ' A' ' 27' ' ' ILE . 17.2 t -158.12 134.73 9.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' CYS . . . . . 0.405 ' HB3' ' CD2' ' A' ' 14' ' ' TRP . 13.3 p -104.68 31.6 4.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -75.45 167.26 22.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.74 107.91 12.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 3.6 mtp-105 -62.97 175.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -121.88 94.22 4.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -66.24 149.63 50.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.361 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -91.92 -176.57 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.63 -90.28 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.29 49.73 1.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.939 0.4 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -131.1 -177.07 4.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.3 56.86 0.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.551 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' A' ' 15' ' ' TRP . 6.1 tt -146.0 142.18 28.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.81 114.85 23.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.527 ' O ' HG23 ' A' ' 10' ' ' ILE . 2.0 tt -124.01 116.48 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.3 106.89 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.26 -85.89 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.418 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.4 pt -135.4 30.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.418 ' CD1' HG13 ' A' ' 13' ' ' ILE . 69.5 m95 -134.57 120.41 19.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.506 ' HB2' HD21 ' A' ' 8' ' ' LEU . 55.5 p-90 -112.61 122.53 47.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.9 m -60.11 138.06 57.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.586 HG21 HG12 ' A' ' 23' ' ' ILE . 19.7 m -76.89 140.57 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.18 -37.6 10.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.793 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -138.06 171.48 14.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.506 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 89.7 t80 -59.34 -44.23 92.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.29 -26.94 45.32 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.478 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -79.93 -29.94 39.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.586 HG12 HG21 ' A' ' 17' ' ' VAL . 39.6 mt -70.72 97.33 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.079 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -152.6 161.02 43.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.95 -149.47 47.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.8 m -70.97 130.91 42.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.516 ' CD1' ' HB2' ' A' ' 66' ' ' ALA . 46.0 pt -148.64 147.19 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -106.84 151.42 25.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.2 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.509 ' HB ' HD12 ' A' ' 37' ' ' ILE . 22.7 mt -125.73 119.31 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.417 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 15.3 tt0 -107.35 127.47 53.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.612 ' HE2' HD12 ' A' ' 124' ' ' ILE . 6.6 mtt -92.01 -55.39 3.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.28 173.26 7.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.0 79.98 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.45 -28.62 3.57 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.546 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.713 ' HB2' ' HG3' ' A' ' 50' ' ' PRO . . . -99.68 152.24 20.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.81 0.338 . . . . 0.0 111.117 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.417 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 81.6 m-85 -125.61 167.82 14.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.509 HD12 ' HB ' ' A' ' 29' ' ' ILE . 32.9 mt -76.09 113.28 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.179 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -95.67 158.53 15.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -117.08 119.09 34.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.087 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.645 HD12 ' HB2' ' A' ' 44' ' ' LEU . 44.4 mt -77.63 169.42 18.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -89.36 -31.8 17.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -65.01 -32.88 74.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.64 41.7 0.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.429 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.645 ' HB2' HD12 ' A' ' 40' ' ' LEU . 8.0 mt -140.66 175.77 9.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -136.48 119.48 16.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.5 t -125.39 166.16 17.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 47' ' ' LEU . 13.6 tp -56.98 117.36 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.72 155.28 52.83 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.562 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.83 111.48 4.93 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 120.622 0.248 . . . . 0.0 111.024 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.713 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 54.4 Cg_exo -51.91 145.0 33.93 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.448 2.099 . . . . 0.0 112.361 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -70.02 157.52 37.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -84.57 -33.41 23.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.97 167.42 10.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.99 -64.72 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.58 83.21 6.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -132.74 155.4 48.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -101.22 149.07 18.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.62 157.69 55.27 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.566 2.178 . . . . 0.0 112.413 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.78 162.73 72.77 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.556 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 66.5 Cg_exo -49.96 -50.5 13.13 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.519 2.146 . . . . 0.0 112.693 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 38.1 Cg_endo -66.17 -24.46 51.54 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.149 1.899 . . . . 0.0 112.329 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -76.42 -30.99 57.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -69.98 141.78 52.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -124.57 164.16 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.23 118.49 26.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.516 ' HB2' ' CD1' ' A' ' 27' ' ' ILE . . . -80.68 154.32 27.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.063 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.792 ' HB ' ' HB3' ' A' ' 75' ' ' ALA . 21.5 t -141.85 99.04 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.732 ' HA ' HG22 ' A' ' 74' ' ' ILE . 12.6 mtpt -62.75 143.02 57.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.4 mt -133.44 -69.85 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.967 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.97 162.9 1.03 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 58.33 35.48 24.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.992 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.438 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 20.0 m 59.74 38.11 21.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -118.65 131.79 56.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.732 HG22 ' HA ' ' A' ' 68' ' ' LYS . 16.9 pt -126.58 156.89 37.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.792 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . . . -111.04 130.16 55.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.08 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.8 mt -94.23 141.76 28.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -129.07 128.85 44.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.772 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -78.58 155.31 29.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.51 -28.43 62.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.604 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -61.66 -35.51 78.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 121.67 37.19 0.68 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.523 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -137.83 164.25 29.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.343 . . . . 0.0 110.94 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -103.27 132.59 49.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.784 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.1 mt -60.55 111.69 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -128.0 135.84 8.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.488 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.3 pt -87.22 133.31 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.79 0.329 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -69.09 169.8 11.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.0 t -60.3 -31.42 70.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.8 -31.5 66.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 114.2 32.46 2.0 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.526 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 133' ' ' GLU . 4.5 tp -107.01 134.91 49.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.6 t -76.63 114.83 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.3 m -140.89 179.56 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.38 82.67 0.17 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -131.58 34.68 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 m -144.28 147.66 33.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -111.06 31.59 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -132.89 131.42 40.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.2 mt -77.72 78.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -87.71 175.88 45.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.35 -43.14 56.18 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.614 2.209 . . . . 0.0 112.244 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -70.0 -32.27 70.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.04 -28.95 63.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -58.51 157.87 8.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.424 ' CE3' ' CD2' ' A' ' 116' ' ' LEU . 96.2 m95 -137.52 -179.95 6.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -160.6 88.12 1.77 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.9 164.12 1.73 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.541 2.161 . . . . 0.0 112.235 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.4 t -143.07 159.18 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.504 ' HZ ' HD11 ' A' ' 23' ' ' ILE . 90.5 m-85 -151.65 122.36 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -142.92 125.8 16.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.95 29.39 18.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.49 -32.56 6.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.565 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -65.53 179.25 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.933 0.397 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.435 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 1.5 ptp -149.46 155.65 40.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -160.94 142.21 11.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.424 ' CD2' ' CE3' ' A' ' 105' ' ' TRP . 6.1 tp -96.49 129.51 43.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 tp -109.33 124.46 50.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.567 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -66.2 171.48 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.5 t -73.26 -7.75 52.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.328 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.567 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 38.8 p30 -96.01 25.14 4.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.67 0.271 . . . . 0.0 111.181 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 m 55.5 33.79 21.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 9.0 m -136.83 135.32 37.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.629 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 60.7 m-85 -68.78 169.25 11.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.761 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.612 HD12 ' HE2' ' A' ' 31' ' ' MET . 2.1 pt -100.43 158.57 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -176.47 137.89 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 21.5 p -78.25 168.86 19.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -115.2 172.33 7.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -84.24 -31.61 24.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.07 -47.85 26.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 139.48 44.51 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -148.25 100.77 3.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.445 HD13 HG23 ' A' ' 37' ' ' ILE . 11.4 mt -71.39 120.29 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.051 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.529 ' HB3' HD12 ' A' ' 91' ' ' LEU . 5.4 pt-20 -131.0 154.8 47.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.97 110.82 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.8 176.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -59.61 176.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.08 -30.97 71.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.962 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.39 118.05 5.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.629 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -105.09 107.57 18.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -96.7 177.11 32.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.429 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.14 -42.29 94.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 110.807 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.93 -35.71 77.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -26.22 68.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 26.1 mmt -56.06 116.04 2.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.434 HG22 ' HA ' ' A' ' 31' ' ' MET . 4.6 pt -105.89 179.97 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -132.19 106.57 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 2.0 mp -92.2 116.36 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -94.81 159.85 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 29.3 t -136.43 129.15 30.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.988 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' CYS . . . . . 0.407 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 29.9 p -108.66 32.21 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -82.25 159.9 23.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.52 127.69 33.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.68 171.95 14.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.708 ' O ' HG23 ' A' ' 155' ' ' THR . 5.7 mt-10 60.22 31.34 20.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 154' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.217 -0.896 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p -78.0 93.71 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.37 104.96 17.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.79 -87.88 0.1 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -112.96 145.46 40.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.311 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -103.91 124.32 48.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.76 -75.82 0.35 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.512 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.5 tp -85.73 144.73 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -141.71 119.22 11.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.566 ' O ' HG23 ' A' ' 10' ' ' ILE . 19.5 tt -115.17 114.4 46.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.064 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.9 t -104.55 101.37 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.76 -82.27 0.31 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.425 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.4 pt -139.26 31.46 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.425 ' CD1' HG13 ' A' ' 13' ' ' ILE . 75.3 m95 -138.72 114.73 10.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.828 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -103.52 132.51 49.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 m -67.86 131.53 45.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.734 HG21 HG12 ' A' ' 23' ' ' ILE . 11.6 m -77.61 167.07 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -121.41 -42.67 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -126.89 179.24 5.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.555 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 48.0 t80 -69.2 -34.54 75.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.23 -28.6 69.43 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.547 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.32 -32.95 49.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.734 HG12 HG21 ' A' ' 17' ' ' VAL . 35.0 mt -75.79 111.84 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.27 123.24 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.0 -157.44 19.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.435 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.4 m -63.6 112.43 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.582 HG22 ' OG ' ' A' ' 149' ' ' SER . 4.2 pt -127.52 173.21 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.54 168.11 16.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.3 mt -142.29 127.77 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -120.99 112.04 18.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.493 ' CE ' HD12 ' A' ' 124' ' ' ILE . 15.6 mtt -88.86 -55.01 3.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.31 179.11 7.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.798 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -78.08 83.08 4.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.4 -29.46 11.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.19 147.19 32.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -119.36 173.54 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 25.6 mt -77.36 115.27 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -98.66 124.76 43.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.0 147.39 25.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.067 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.1 mt -116.88 152.43 34.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -81.67 -28.65 33.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.057 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -56.12 -25.55 46.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.04 31.91 1.64 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.556 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mt -143.68 179.76 6.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 110.81 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -135.59 119.1 16.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.2 t -118.9 158.52 25.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.1 tp -75.7 121.95 23.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.37 169.36 54.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.441 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.15 143.07 64.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.661 0.267 . . . . 0.0 111.033 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -74.19 173.52 14.0 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.541 2.161 . . . . 0.0 112.316 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -109.18 145.31 36.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -74.22 -49.84 21.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -74.29 153.51 39.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.52 -64.79 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -69.04 83.7 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -146.01 121.38 10.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.03 156.56 43.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.528 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.23 164.16 36.02 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.518 2.146 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.92 161.54 78.1 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.549 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 59.0 Cg_exo -50.61 -49.96 15.12 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.563 2.176 . . . . 0.0 112.702 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 41.8 Cg_endo -67.48 -25.21 41.62 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.12 1.88 . . . . 0.0 112.229 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -77.1 -31.69 56.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -66.67 112.95 4.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.499 ' CE1' HD11 ' A' ' 84' ' ' LEU . 98.0 m-85 -99.52 177.2 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -138.43 118.45 13.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.6 134.59 34.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.7 t -127.79 124.69 63.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -63.79 153.02 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 75' ' ' ALA . 11.5 mt -140.58 -73.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 m 179.96 154.7 0.56 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 62.23 34.27 16.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.026 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.6 m 61.05 39.07 16.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.13 133.09 56.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.789 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.555 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 2.8 pt -124.35 139.89 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.065 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.531 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -94.05 128.11 40.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.7 ' HB3' HD12 ' A' ' 84' ' ' LEU . 15.5 mt -89.16 131.93 35.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -119.19 133.96 55.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.1 p -80.39 150.52 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.5 -30.7 68.84 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -60.96 -31.21 70.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.02 45.64 0.58 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.585 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -146.5 164.76 31.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.832 0.349 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -97.52 139.29 33.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.7 HD12 ' HB3' ' A' ' 76' ' ' LEU . 64.2 mt -79.31 108.41 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -116.32 152.29 17.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.546 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.442 HG22 HG22 ' A' ' 92' ' ' VAL . 12.3 pt -97.43 136.03 29.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 111.179 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -77.74 175.37 10.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 91.7 p -75.12 -39.52 60.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -28.74 69.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 115.5 29.48 2.47 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 tp -114.21 115.79 28.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.442 HG22 HG22 ' A' ' 86' ' ' ILE . 21.4 t -69.27 121.63 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.8 m -138.11 -179.98 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.36 102.52 0.51 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -172.68 82.23 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.37 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.0 m -154.34 -45.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.3 t70 62.61 34.81 14.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -164.83 148.44 8.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.8 mt -76.08 84.88 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.68 166.16 23.74 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.18 -37.01 68.98 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.587 2.191 . . . . 0.0 112.349 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.5 mtt85 -74.46 -31.67 62.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 1.2 mp0 -71.92 -12.36 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.288 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -74.45 150.77 39.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.897 0.38 . . . . 0.0 111.03 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.527 ' CE3' HD23 ' A' ' 116' ' ' LEU . 73.6 m95 -140.51 149.31 42.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.726 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -127.76 97.53 29.95 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.072 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.73 152.31 17.3 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.397 2.065 . . . . 0.0 112.132 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.4 t -136.61 154.66 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.227 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.437 ' CD2' ' HB3' ' A' ' 114' ' ' MET . 29.4 m-85 -144.47 122.24 11.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.768 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.34 133.51 22.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.986 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 58.41 27.15 15.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.059 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.33 -33.47 5.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.612 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -77.3 179.98 6.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.437 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 3.1 ptt? -147.48 141.19 25.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -138.94 117.85 12.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.527 HD23 ' CE3' ' A' ' 105' ' ' TRP . 0.3 OUTLIER -60.18 133.96 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.4 tp -110.92 123.55 50.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.421 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -69.67 167.93 15.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.1 t -67.06 -13.31 61.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.192 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -93.89 21.01 7.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.236 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.1 m 55.36 36.26 26.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.805 0.336 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 44.6 m -140.36 127.15 20.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -67.11 149.23 50.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.493 HD12 ' CE ' ' A' ' 31' ' ' MET . 45.0 pt -89.44 144.84 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -149.01 128.55 13.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 20.3 p -79.41 154.87 28.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -111.7 166.36 11.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.42 -33.12 62.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.69 -29.57 69.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 114.14 28.92 2.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.546 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -123.7 116.23 22.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.757 0.313 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 26.9 mt -93.7 124.13 46.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.3 179.88 6.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -93.88 106.47 18.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.201 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 170.83 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -59.12 172.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -60.33 -40.79 91.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 16.6 p -67.16 102.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -83.46 106.53 15.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -65.51 176.89 13.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.42 -40.52 91.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -71.91 -31.1 66.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -25.33 64.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 34.7 mmt -55.57 145.42 23.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.029 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.48 HG22 ' HA ' ' A' ' 31' ' ' MET . 3.1 pt -132.64 175.18 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -132.14 109.52 10.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 26.2 mt -91.44 119.96 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 29.4 mtt-85 -113.72 157.87 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.582 ' OG ' HG22 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -133.63 147.12 51.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 26.0 p -109.78 35.03 3.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -83.31 163.84 20.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -76.57 128.29 34.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 19.9 mtm105 -103.51 167.53 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -106.37 31.23 5.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 23.3 m . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.889 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -96.62 175.57 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.336 . . . . 0.0 110.945 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 p -69.93 104.87 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.84 170.94 21.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.81 91.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.778 0.323 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.5 t 60.76 107.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.63 143.78 15.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.457 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 9' ' ' ASP . 1.3 tt -160.25 152.68 20.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.724 0.297 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.465 ' N ' HD23 ' A' ' 8' ' ' LEU . 1.6 m-20 -94.69 131.3 40.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.782 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.471 ' O ' HG23 ' A' ' 10' ' ' ILE . 18.4 tt -138.89 122.12 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t -100.17 91.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.41 -82.02 0.7 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.387 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.425 HG13 ' CD1' ' A' ' 14' ' ' TRP . 46.0 pt -136.28 29.29 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.795 0.331 . . . . 0.0 111.089 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.425 ' CD1' HG13 ' A' ' 13' ' ' ILE . 46.3 m95 -133.53 120.76 21.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.43 ' CE2' ' HG3' ' A' ' 153' ' ' ARG . 22.4 p-90 -117.15 135.68 53.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 m -69.47 141.03 54.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.414 HG21 HG12 ' A' ' 23' ' ' ILE . 30.7 m -78.0 177.02 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.089 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.7 m -124.57 -43.94 2.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -130.42 172.62 11.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.548 ' CE1' HG23 ' A' ' 74' ' ' ILE . 76.5 t80 -57.98 -42.4 85.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.008 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.59 -20.64 52.51 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.705 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.17 -32.43 38.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.741 0.305 . . . . 0.0 110.952 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 20' ' ' PHE . 18.3 mt -70.72 124.79 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.076 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.9 t -177.43 150.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.99 -133.95 17.74 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.6 m -90.75 127.45 36.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.482 HD13 ' CG2' ' A' ' 147' ' ' ILE . 2.3 pp -141.15 134.98 31.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.018 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.26 148.01 27.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 30' ' ' GLU . 4.8 mt -116.96 155.96 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.448 ' N ' HG22 ' A' ' 29' ' ' ILE . 17.3 tt0 -145.1 116.7 8.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.786 ' HA ' HG22 ' A' ' 145' ' ' ILE . 45.4 mtt -86.35 -52.68 5.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.475 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 4.7 t0 -89.32 176.22 7.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.797 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -83.0 81.72 8.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.41 -28.2 7.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.437 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . . . -87.47 139.03 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -121.77 167.55 12.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.24 128.39 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -115.04 139.82 49.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.601 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -99.49 134.98 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.551 HD13 HD21 ' A' ' 42' ' ' ASN . 13.6 mt -93.66 156.3 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -31.48 72.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.551 HD21 HD13 ' A' ' 40' ' ' LEU . 19.0 p30 -70.41 -31.15 68.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 133.46 -26.77 3.47 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.39 179.95 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.854 0.359 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.601 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 25.0 m-85 -141.91 127.83 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 t -125.08 156.39 38.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.464 HD13 ' CB ' ' A' ' 126' ' ' CYS . 12.6 tp -72.51 114.26 10.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.0 149.56 51.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.446 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.41 138.16 96.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.5 0.19 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.55 157.97 8.67 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.437 2.092 . . . . 0.0 112.303 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -82.34 162.22 22.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -71.71 -74.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.41 158.99 31.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.99 -31.32 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -104.29 85.09 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -147.51 142.93 27.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.74 152.61 35.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.92 155.8 57.22 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.526 2.151 . . . . 0.0 112.347 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.404 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . 46.3 m -76.69 162.37 70.78 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.834 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.489 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 52.0 Cg_exo -53.83 -45.13 43.31 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.498 2.132 . . . . 0.0 112.735 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 60' ' ' PRO . 27.9 Cg_exo -61.46 -29.99 86.03 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.427 2.085 . . . . 0.0 112.026 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 19.6 mt-10 -81.91 -29.44 32.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -67.7 143.87 55.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' A' ' 62' ' ' GLU . 96.8 m-85 -134.51 150.13 50.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -103.12 124.76 49.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.447 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -93.76 161.54 14.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.41 ' HB ' ' HB3' ' A' ' 75' ' ' ALA . 21.6 t -152.15 109.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.787 ' HA ' HG22 ' A' ' 74' ' ' ILE . 6.1 mtpm? -63.08 128.14 34.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.6 mt -112.15 -76.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.8 p -179.68 154.71 0.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 59.75 41.07 18.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m 62.13 31.49 17.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -111.21 125.85 54.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.787 HG22 ' HA ' ' A' ' 68' ' ' LYS . 18.5 pt -129.31 144.37 38.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.047 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.41 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . . . -86.72 176.59 7.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.6 mt -145.84 130.72 18.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -123.38 132.35 53.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.52 158.66 25.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.74 -28.78 66.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.407 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -62.09 -30.36 70.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.39 29.71 2.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.59 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -124.75 176.06 6.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.736 0.303 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -114.66 129.39 56.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.532 HD21 ' CZ ' ' A' ' 45' ' ' PHE . 25.3 mt -65.33 139.53 58.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.43 159.42 28.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.596 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 pt -108.19 149.67 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -91.22 162.18 14.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -31.8 70.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.3 -43.98 80.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 135.0 48.72 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.62 159.28 42.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.9 t -109.47 102.91 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.0 m -130.15 137.64 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -102.54 79.96 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.571 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -144.44 79.3 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.794 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.52 -44.71 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.9 t0 67.14 33.04 5.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.959 0.409 . . . . 0.0 110.813 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -168.05 141.67 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.995 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 mt -70.42 98.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -114.74 -178.18 18.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.54 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.96 -44.15 10.47 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.602 2.202 . . . . 0.0 112.182 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -62.68 -29.88 70.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.412 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 11.6 mp0 -78.67 -19.9 51.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.216 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -68.03 148.65 50.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.825 0.345 . . . . 0.0 111.091 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.424 ' CE3' ' HA ' ' A' ' 118' ' ' ALA . 81.8 m95 -134.19 -179.92 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.776 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -155.83 92.65 2.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.993 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.31 116.42 4.5 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.537 2.158 . . . . 0.0 112.245 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.18 145.12 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -119.85 129.11 54.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.82 112.39 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 59.56 36.18 22.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.54 -33.4 5.7 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -64.08 178.57 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 9.0 ptp -154.53 151.38 28.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.84 143.04 21.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.444 HD23 HG21 ' A' ' 124' ' ' ILE . 5.0 tp -85.23 113.75 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.3 tp -98.06 130.78 44.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.424 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -83.05 169.4 15.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.7 t -68.81 -11.28 60.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.229 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -94.75 22.39 6.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.674 0.273 . . . . 0.0 111.288 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.7 m 55.28 36.49 27.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.228 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 4.9 m -138.75 130.09 27.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -69.05 159.02 33.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.499 ' HB ' ' HE1' ' A' ' 31' ' ' MET . 44.7 pt -77.52 155.81 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.23 141.5 16.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.464 ' CB ' HD13 ' A' ' 47' ' ' LEU . 11.1 p -105.04 118.75 37.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -78.15 168.84 19.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -78.2 -39.17 41.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.78 -30.36 71.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 117.06 34.24 1.26 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -124.39 100.5 6.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.788 0.328 . . . . 0.0 110.949 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 126' ' ' CYS . 33.8 mm -69.96 108.83 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.058 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -120.73 154.58 35.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -83.43 110.9 18.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.29 174.1 8.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -60.21 176.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -63.84 -29.53 70.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.4 p -57.74 100.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.68 102.38 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -87.95 179.99 47.21 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.54 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -63.99 -39.28 93.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.787 0.327 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -70.99 -37.25 72.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -63.43 -26.92 68.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.0 mmt -56.45 135.52 54.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.786 HG22 ' HA ' ' A' ' 31' ' ' MET . 1.4 pt -135.31 -179.98 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -144.62 89.81 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.619 HG13 HD12 ' A' ' 145' ' ' ILE . 7.2 mt -66.72 106.62 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -85.35 173.69 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.3 t -151.63 131.9 13.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' CYS . . . . . 0.412 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 9.9 p -105.66 31.61 4.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.79 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -92.7 173.15 7.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.65 130.92 42.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ARG . . . . . 0.43 ' HG3' ' CE2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -79.66 156.58 27.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.951 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -105.8 84.32 2.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.18 -0.915 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.49 174.1 13.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.82 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -115.32 131.7 56.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.05 160.49 13.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -87.3 166.66 14.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 p -113.47 123.32 49.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.17 -42.04 2.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.656 HD21 ' HB2' ' A' ' 15' ' ' TRP . 57.6 tp -81.82 149.66 28.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.823 0.344 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.76 94.7 6.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.696 HD13 ' HB3' ' A' ' 15' ' ' TRP . 9.3 tp -100.82 127.65 53.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.98 94.36 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.47 -72.77 0.46 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.361 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.405 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.0 pp -149.52 29.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.417 ' CE3' ' HB3' ' A' ' 150' ' ' CYS . 94.2 m95 -128.7 96.29 4.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.788 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.696 ' HB3' HD13 ' A' ' 10' ' ' ILE . 52.0 p-90 -94.86 122.37 37.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.86 163.4 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -107.45 132.46 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.225 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m -91.19 -37.35 13.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -132.01 173.29 11.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.458 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 79.7 t80 -72.77 -34.58 67.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.039 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.37 -25.07 54.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.687 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.3 -30.11 24.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.018 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mt -64.52 117.24 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 p -177.26 140.14 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.753 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.0 -146.57 19.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.2 m -80.32 131.85 35.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.502 HG22 ' HA ' ' A' ' 149' ' ' SER . 4.5 pt -143.57 173.97 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.64 153.16 51.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.487 HD11 ' CD2' ' A' ' 76' ' ' LEU . 7.7 mt -122.8 126.3 73.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -115.97 118.83 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.4 mtp -95.27 -48.63 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.657 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 0.5 OUTLIER -97.88 171.31 8.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -75.01 81.93 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.76 -28.54 9.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.554 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.657 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . . . -84.59 134.2 34.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.813 0.34 . . . . 0.0 111.132 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -113.87 163.6 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.446 HG23 ' CD1' ' A' ' 132' ' ' ILE . 33.7 mt -70.71 122.66 23.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -103.94 135.96 44.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.562 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -100.81 139.56 36.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.4 mt -107.64 151.67 25.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -73.89 -31.08 62.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -58.9 -26.27 64.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.27 28.62 2.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -133.36 179.89 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.779 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.658 ' HB3' HD12 ' A' ' 132' ' ' ILE . 33.7 m-85 -141.61 139.27 33.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.6 t -132.7 179.95 5.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.4 tp -95.0 107.53 19.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.31 175.81 3.08 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.443 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.92 145.19 29.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.715 0.293 . . . . 0.0 111.087 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.38 135.12 21.87 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.512 2.141 . . . . 0.0 112.326 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -67.18 164.33 18.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.77 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.7 mtt-85 -73.97 -72.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -67.41 172.69 4.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.3 p -89.0 -34.43 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -89.57 79.84 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -151.05 122.43 7.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.787 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.41 156.11 42.66 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.599 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.58 151.92 64.74 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.556 2.171 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.419 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . 46.2 m -63.82 162.98 24.54 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.749 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.504 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 49.0 Cg_exo -54.38 -45.19 42.86 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.5 2.133 . . . . 0.0 112.651 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 60' ' ' PRO . 37.5 Cg_exo -59.6 -27.74 85.71 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.552 2.168 . . . . 0.0 112.086 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.418 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 7.1 mt-10 -85.86 -28.42 24.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.02 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -60.62 123.97 19.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.428 ' CD1' ' HA ' ' A' ' 78' ' ' SER . 85.1 m-85 -111.27 171.14 7.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.1 m -130.51 129.08 42.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.458 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -96.71 145.57 25.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.68 109.75 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.768 ' HA ' HG22 ' A' ' 74' ' ' ILE . 1.8 mtpm? -62.63 143.01 57.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.4 mt -125.99 -68.03 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.016 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.9 p 179.92 152.06 0.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 t0 58.61 39.45 24.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.99 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.433 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 2.2 m 60.66 37.3 19.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.4 mmm-85 -117.33 110.17 17.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.768 HG22 ' HA ' ' A' ' 68' ' ' LYS . 16.3 pt -105.81 161.16 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -112.35 134.91 53.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.487 ' CD2' HD11 ' A' ' 29' ' ' ILE . 12.3 mt -99.59 144.28 28.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.442 ' HE3' ' CZ ' ' A' ' 83' ' ' TYR . 5.8 ttmm -135.96 128.83 31.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.428 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . 3.3 p -68.22 155.07 40.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.13 -27.84 60.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.552 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -66.02 -43.0 88.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.1 45.1 0.17 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.553 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -141.68 152.85 44.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.837 0.351 . . . . 0.0 110.826 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.442 ' CZ ' ' HE3' ' A' ' 77' ' ' LYS . 97.8 m-85 -89.29 132.63 34.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.441 HD21 ' CE2' ' A' ' 45' ' ' PHE . 42.6 mt -66.49 97.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -112.15 131.49 10.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.06 127.3 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -59.55 160.07 7.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -36.49 83.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -62.83 -44.82 95.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.53 44.18 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.39 152.8 47.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.812 0.339 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.489 HG21 HG22 ' A' ' 132' ' ' ILE . 21.6 t -95.4 117.1 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.1 m -137.88 175.42 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.92 93.02 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.87 33.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.2 134.48 46.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -98.69 31.01 3.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.14 166.64 23.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.5 mt -104.11 81.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -91.56 -165.78 39.76 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.0 -40.71 4.64 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.636 2.224 . . . . 0.0 112.283 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 41.1 mtt85 -66.72 -30.82 71.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 25.2 mp0 -75.04 -26.94 59.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -56.49 155.21 7.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.405 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 97.6 m95 -142.87 179.99 6.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -162.24 96.15 1.21 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.84 168.03 21.46 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.436 2.091 . . . . 0.0 112.247 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.4 t -148.03 158.9 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.482 ' N ' HG12 ' A' ' 108' ' ' VAL . 96.9 m-85 -152.76 120.11 5.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -144.7 124.59 13.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 59.39 28.81 18.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.8 -32.08 6.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -65.59 172.5 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.441 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 3.4 ptp -153.39 150.62 29.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.989 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.32 155.05 35.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.156 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.7 tp -107.05 130.52 54.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 31.1 tp -108.39 128.28 54.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 122' ' ' CYS . . . -73.33 165.54 24.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.7 t -67.72 -14.15 62.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.289 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 56.5 p30 -96.25 24.94 5.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.778 0.323 . . . . 0.0 111.198 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.8 p 57.37 41.38 26.5 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 118' ' ' ALA . 26.0 m -146.86 122.44 10.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -59.92 167.61 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 39.8 pt -94.61 164.97 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -176.52 137.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 20.3 p -94.11 146.48 23.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -90.52 175.51 7.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -82.01 -31.76 30.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.9 -33.94 51.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 124.73 40.78 0.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.528 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -127.29 99.85 5.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.658 HD12 ' HB3' ' A' ' 45' ' ' PHE . 33.4 mt -74.62 117.38 18.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.145 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.92 168.87 18.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.416 ' HB1' ' HB2' ' A' ' 122' ' ' CYS . . . -82.2 123.72 29.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -83.74 165.0 19.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -51.3 168.68 0.06 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -59.64 -36.7 76.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 30.0 p -58.87 102.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.499 ' HB1' ' CE ' ' A' ' 144' ' ' MET . . . -78.17 87.06 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -61.7 179.95 3.67 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.8 -37.7 73.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.793 0.33 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -72.62 -31.62 65.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -28.34 68.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.499 ' CE ' ' HB1' ' A' ' 139' ' ' ALA . 32.7 mmt -57.09 137.61 55.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.994 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 8.3 pt -119.07 -179.99 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -135.07 95.29 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 8.0 mt -80.99 128.1 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -124.29 145.29 49.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.502 ' HA ' HG22 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -107.57 162.38 14.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 150' ' ' CYS . . . . . 0.417 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 26.9 p -138.5 35.77 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -84.7 174.17 10.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.94 117.35 19.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 19.4 mtm-85 -91.01 165.98 13.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -152.38 31.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.935 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t -88.71 133.11 34.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -110.05 36.14 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.58 141.55 47.44 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.86 169.79 8.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -125.29 -44.5 1.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.32 142.45 4.19 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tp -127.36 137.31 52.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.845 0.355 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -99.55 128.1 45.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 tt -126.6 136.33 61.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.6 96.71 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.74 -85.73 0.11 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.424 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.2 pt -130.91 30.75 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.428 ' CE2' ' HD2' ' A' ' 58' ' ' PRO . 84.5 m95 -135.02 143.88 47.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.518 ' HZ2' ' HB3' ' A' ' 151' ' ' ALA . 56.9 p-90 -139.58 135.53 33.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.413 HG22 ' HE1' ' A' ' 114' ' ' MET . 0.2 OUTLIER -70.34 143.24 52.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.546 HG11 HG12 ' A' ' 23' ' ' ILE . 30.8 m -81.41 170.03 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.2 p -127.14 -45.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -129.84 173.6 10.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.636 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 26.3 t80 -59.72 -44.99 93.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.44 -26.24 51.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.629 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -74.08 -34.86 64.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.546 HG12 HG11 ' A' ' 17' ' ' VAL . 30.0 mt -75.28 113.06 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.079 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.06 100.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.43 -147.73 16.95 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.425 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.9 m -78.17 126.98 31.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.696 HD13 ' H ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -141.58 147.82 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.34 133.49 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -109.27 127.3 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.218 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.416 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 10.9 tt0 -105.56 108.79 20.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.634 ' HE3' HD12 ' A' ' 124' ' ' ILE . 8.9 mtt -80.85 -67.71 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.3 178.06 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.97 84.56 4.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.9 -29.38 10.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' HB2' ' HB3' ' A' ' 50' ' ' PRO . . . -83.73 153.39 24.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.819 0.342 . . . . 0.0 111.078 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.416 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 71.9 m-85 -124.11 178.89 5.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.736 HG23 HD13 ' A' ' 132' ' ' ILE . 20.9 mt -81.69 123.04 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -107.72 149.43 28.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.64 159.32 16.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 44' ' ' LEU . 89.7 mt -128.01 169.23 14.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.949 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.72 -33.43 15.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.949 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -59.93 -29.42 68.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.07 35.17 0.97 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.528 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.467 ' HB2' HD12 ' A' ' 40' ' ' LEU . 5.3 mt -137.46 172.48 12.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.466 ' HB3' HD12 ' A' ' 132' ' ' ILE . 17.3 m-85 -134.81 117.11 15.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.987 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -112.7 169.85 8.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.0 tp -73.6 115.55 13.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.48 168.83 6.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.64 124.26 90.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.541 0.21 . . . . 0.0 111.052 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.406 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.59 131.86 22.38 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.402 2.068 . . . . 0.0 112.322 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -81.62 120.0 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -46.45 89.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -72.48 143.62 48.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.08 -32.01 31.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.09 86.79 4.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -159.39 123.04 3.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.09 147.38 33.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.428 ' HD2' ' CE2' ' A' ' 14' ' ' TRP . 50.7 Cg_exo -53.31 155.21 12.83 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.514 2.143 . . . . 0.0 112.285 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.9 m -72.83 160.91 81.72 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.56 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 54.1 Cg_exo -50.91 -48.71 19.63 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.571 2.181 . . . . 0.0 112.653 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 52.7 Cg_endo -69.56 -19.89 36.48 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.149 1.899 . . . . 0.0 112.467 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -83.24 -30.89 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.957 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -62.11 130.91 47.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -115.18 159.24 21.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.15 124.8 45.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.5 155.16 24.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.019 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.01 113.16 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -64.57 148.06 51.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.788 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.8 mt -139.71 -72.06 0.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 m 179.95 153.78 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 58.66 34.36 23.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 68.9 m 61.16 31.43 19.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -108.87 109.11 20.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.747 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.636 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 23.3 pt -102.24 170.13 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.283 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.56 124.87 43.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.719 ' HB3' HD12 ' A' ' 84' ' ' LEU . 17.3 mt -84.29 117.64 23.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -104.6 118.95 37.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 94.9 p -60.31 167.15 2.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.64 -39.14 94.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.547 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -60.2 -30.46 69.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.78 0.324 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.4 30.5 2.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -118.0 146.46 44.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -82.42 132.97 35.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.719 HD12 ' HB3' ' A' ' 76' ' ' LEU . 73.1 mt -70.83 120.7 16.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -131.16 134.14 7.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.519 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 pt -76.73 130.68 36.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -64.59 175.22 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 43.0 t -60.3 -41.19 92.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.21 -45.57 55.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.86 44.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.533 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.42 137.66 48.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.0 t -76.02 83.52 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.0 m -104.81 167.53 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -137.34 86.72 0.23 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -156.46 79.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.37 -47.69 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.1 t0 60.28 31.71 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -154.85 143.36 20.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.5 mm -71.04 110.55 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.204 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -131.87 168.22 22.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.6 -48.47 21.7 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.641 2.227 . . . . 0.0 112.304 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -64.99 -35.77 82.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 1.4 mp0 -74.37 -27.0 60.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.066 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -58.9 138.13 57.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.424 ' CE3' ' HA ' ' A' ' 118' ' ' ALA . 97.9 m95 -122.36 -179.99 4.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -165.26 95.1 0.86 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.968 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.09 145.47 61.13 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.477 2.118 . . . . 0.0 112.257 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.5 t -124.21 157.0 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.077 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.448 ' N ' HG12 ' A' ' 108' ' ' VAL . 72.3 m-85 -140.02 139.44 35.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.99 106.57 3.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 59.63 36.72 22.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.986 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.78 -39.53 2.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.466 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -59.54 167.05 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.767 0.318 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.413 ' HE1' HG22 ' A' ' 16' ' ' THR . 2.8 ptp -154.09 155.2 34.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -160.95 118.25 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.8 tp -64.46 117.69 7.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.407 HD13 ' CE1' ' A' ' 123' ' ' PHE . 18.8 tp -100.25 131.51 46.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.424 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -82.44 171.15 14.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.2 t -67.52 -12.13 59.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -94.13 22.74 5.56 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.727 0.298 . . . . 0.0 111.165 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.85 32.19 19.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.895 0.378 . . . . 0.0 111.102 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.5 m -138.08 132.56 32.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.407 ' CE1' HD13 ' A' ' 117' ' ' LEU . 75.0 m-85 -67.44 -179.99 1.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.634 HD12 ' HE3' ' A' ' 31' ' ' MET . 3.2 pt -110.86 145.65 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -156.45 143.7 19.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 20.7 p -93.54 156.3 16.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -105.01 176.08 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -86.86 -31.53 20.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.39 -34.66 68.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 124.26 46.2 0.26 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.437 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -136.92 110.13 7.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.736 HD13 HG23 ' A' ' 37' ' ' ILE . 32.8 mt -89.38 111.45 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.055 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -133.51 173.7 11.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -81.91 119.07 23.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.61 167.46 20.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -58.4 171.51 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -59.54 -33.57 71.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 82.2 p -64.63 120.02 11.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -92.14 116.66 29.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -95.33 175.18 33.02 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.446 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -37.01 85.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.842 0.353 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.52 -32.59 64.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.4 -25.99 66.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 11.6 mmt -55.54 120.82 7.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.033 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.502 HD12 HG13 ' A' ' 147' ' ' ILE . 2.0 pt -108.9 164.47 5.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -125.17 88.1 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.502 HG13 HD12 ' A' ' 145' ' ' ILE . 10.0 mt -68.77 93.12 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -85.6 147.97 26.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.491 ' OG ' HG22 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -126.87 151.37 48.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 25.3 p -117.64 36.21 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.518 ' HB3' ' HZ2' ' A' ' 15' ' ' TRP . . . -93.5 173.01 7.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -83.0 123.59 29.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ARG . . . . . 0.418 ' HD3' ' CD1' ' A' ' 15' ' ' TRP . 26.6 mtm-85 -93.5 162.66 13.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.63 115.42 29.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.909 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 p -108.16 -32.02 7.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -77.6 109.18 11.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.34 176.11 29.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -117.79 -66.24 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m 60.8 48.36 7.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.31 39.62 2.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.552 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.662 HD21 ' O ' ' A' ' 16' ' ' THR . 0.3 OUTLIER -102.04 138.11 39.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 110.875 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -86.37 158.25 19.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -147.7 133.36 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.1 95.8 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.63 -83.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.534 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.408 HG13 ' CD1' ' A' ' 14' ' ' TRP . 0.9 OUTLIER -132.47 30.92 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 111.062 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.416 ' CD2' ' HB3' ' A' ' 150' ' ' CYS . 56.7 m95 -134.93 134.92 41.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 37.1 p-90 -120.37 129.66 54.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.662 ' O ' HD21 ' A' ' 8' ' ' LEU . 39.3 m -66.38 140.52 58.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.2 m -79.42 149.58 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.4 t -108.4 -32.84 7.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -132.12 179.62 5.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.6 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 27.0 t80 -74.66 -37.91 62.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.17 -28.37 64.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -75.22 -28.94 60.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.931 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.495 HG21 HD13 ' A' ' 74' ' ' ILE . 45.9 mt -70.23 102.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.1 m -164.06 135.8 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.45 -154.93 30.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 m -67.3 130.69 43.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.534 HG22 ' HB2' ' A' ' 149' ' ' SER . 3.9 pt -145.23 149.45 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.42 147.78 40.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.0 mt -118.52 149.72 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -134.72 101.04 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.494 ' HA ' HG22 ' A' ' 145' ' ' ILE . 11.6 mtt -77.55 -47.48 19.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.622 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 3.4 t70 -98.51 178.17 5.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.56 86.85 6.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.67 -26.72 18.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.55 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.622 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . . . -85.47 151.53 23.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 111.121 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -126.0 169.78 12.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.0 mt -74.3 113.03 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -99.93 141.83 32.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.87 134.09 49.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 40' ' ' LEU . 26.9 mt -88.44 143.35 27.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.92 -30.47 67.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -65.1 -38.51 90.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.82 -26.1 2.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.589 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mt -76.41 179.04 6.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.791 0.329 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CE2' HD21 ' A' ' 84' ' ' LEU . 18.5 m-85 -132.92 141.36 48.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.791 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -140.1 162.6 34.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.9 tp -66.85 122.53 17.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.16 179.06 32.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.83 120.0 70.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.462 0.173 . . . . 0.0 111.077 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.61 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 54.8 Cg_exo -52.23 146.96 29.46 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.417 2.078 . . . . 0.0 112.323 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -78.66 140.0 38.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -67.06 -34.59 78.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.83 156.55 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.43 -51.18 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -91.2 79.94 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -135.07 176.12 8.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -113.14 151.0 18.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.09 160.67 48.78 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.527 2.152 . . . . 0.0 112.324 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 m -74.55 162.6 72.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.531 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 51.9 Cg_exo -52.04 -48.0 23.81 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.604 2.203 . . . . 0.0 112.624 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 59.4 Cg_endo -72.42 -24.42 19.3 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.123 1.882 . . . . 0.0 112.385 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 20.7 mt-10 -76.92 -31.25 56.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -65.0 134.47 53.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.402 ' CE2' ' O ' ' A' ' 62' ' ' GLU . 99.4 m-85 -119.99 169.1 10.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.22 132.37 48.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.12 154.46 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -152.27 112.83 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.187 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -66.76 137.38 56.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.2 mt -122.28 -68.0 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.993 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.93 155.33 0.59 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 57.84 34.79 24.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.006 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 2.8 m 60.42 44.42 12.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -118.41 116.92 27.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.6 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 3.2 pt -110.09 142.31 22.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.36 123.41 46.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.9 mt -79.39 135.9 36.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -121.5 121.03 36.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 76.2 p -68.95 155.13 40.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.47 -29.06 65.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.555 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -66.04 -37.04 84.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.801 0.334 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 124.39 40.61 0.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -135.86 164.37 28.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.435 ' CZ ' HD11 ' A' ' 99' ' ' ILE . 37.8 m-85 -102.72 125.18 49.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.57 HD21 ' CE2' ' A' ' 45' ' ' PHE . 21.7 mt -64.46 127.64 32.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -144.51 153.15 24.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.574 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.604 HD13 ' ND2' ' A' ' 120' ' ' ASN . 2.9 pt -87.46 144.57 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.771 0.319 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -83.63 175.88 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -31.46 60.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.5 -45.94 42.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.0 59.64 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.546 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.5 tp -144.41 149.07 35.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.864 0.364 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.7 t -92.7 96.8 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.6 m -110.42 177.99 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.06 93.58 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.88 38.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.374 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.77 122.12 25.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.74 -33.55 74.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.38 178.5 5.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.064 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.435 HD11 ' CZ ' ' A' ' 83' ' ' TYR . 26.7 mt -135.28 85.28 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.175 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -91.72 -177.8 42.5 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.438 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.31 -43.39 54.18 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.568 2.179 . . . . 0.0 112.307 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -30.89 69.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.411 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 2.2 mp0 -82.05 -23.34 35.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -65.09 153.99 39.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 111.058 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.411 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 72.5 m95 -142.29 137.56 30.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.722 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.13 101.48 41.46 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.029 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.56 171.39 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.402 2.068 . . . . 0.0 112.229 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.8 t -152.63 96.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.204 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.495 ' HZ ' HD11 ' A' ' 23' ' ' ILE . 51.7 m-85 -99.95 120.77 40.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.795 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -142.97 121.66 12.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.022 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 57.93 31.64 20.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.51 -29.43 10.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.431 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -59.66 -179.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 6.0 ptm -168.59 129.08 1.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -143.91 153.33 42.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.049 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 tp -101.35 112.77 25.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.4 tp -94.62 123.36 38.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.51 168.95 17.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.7 t -71.93 -9.7 58.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.381 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.604 ' ND2' HD13 ' A' ' 86' ' ' ILE . 46.0 p30 -95.8 23.95 5.82 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.748 0.309 . . . . 0.0 111.201 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.88 37.69 26.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.088 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.546 ' HB2' ' HB1' ' A' ' 134' ' ' ALA . 21.0 m -146.69 129.61 16.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.861 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -65.99 179.59 0.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 20.2 pt -105.29 139.97 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.213 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.15 134.8 14.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 21.6 p -91.43 155.95 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -105.16 167.23 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -76.71 -31.71 57.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.63 -44.99 47.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 135.35 44.3 0.1 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.481 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -136.78 99.07 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.9 mt -76.37 107.03 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -116.94 173.45 6.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.546 ' HB1' ' HB2' ' A' ' 122' ' ' CYS . . . -94.16 102.23 14.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.96 163.47 12.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -53.13 172.85 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.164 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -59.34 -32.51 70.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 68.0 p -60.38 97.33 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -79.57 98.53 6.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -75.35 177.64 48.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -31.52 72.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -83.6 -32.01 25.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.75 -29.48 70.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.2 mmt -58.53 159.14 6.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.494 HG22 ' HA ' ' A' ' 31' ' ' MET . 2.8 pt -136.06 174.22 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.211 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -133.18 99.85 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.485 HG13 HD12 ' A' ' 145' ' ' ILE . 4.6 mt -82.78 128.3 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 31.6 mtt-85 -123.37 156.01 36.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.534 ' HB2' HG22 ' A' ' 27' ' ' ILE . 28.2 t -131.28 133.87 45.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' CYS . . . . . 0.416 ' HB3' ' CD2' ' A' ' 14' ' ' TRP . 26.4 p -102.88 31.74 4.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.95 172.09 9.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.057 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.5 125.11 28.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -82.26 133.87 35.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.88 82.03 2.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 155' ' ' THR . 4.7 m . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -163.01 173.3 13.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 m -100.32 121.4 41.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.32 -59.82 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -157.02 103.23 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.77 0.319 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.56 -47.75 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.93 -101.45 0.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 9' ' ' ASP . 3.0 tt -159.63 128.14 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.559 ' O ' HD23 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -62.73 140.32 58.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.411 HD13 ' HB3' ' A' ' 15' ' ' TRP . 8.5 tp -141.35 145.38 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.17 89.56 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.1 -72.2 0.42 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.419 HG13 ' CD1' ' A' ' 14' ' ' TRP . 7.1 pt -150.73 30.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 111.124 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.433 ' CZ2' ' HD2' ' A' ' 58' ' ' PRO . 86.4 m95 -132.61 90.49 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.411 ' HB3' HD13 ' A' ' 10' ' ' ILE . 56.2 p-90 -85.35 135.84 33.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.528 ' O ' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -72.17 139.22 48.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.4 m -75.98 174.03 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.6 m -128.71 -45.91 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -126.44 -178.29 4.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.733 ' HA ' HD12 ' A' ' 23' ' ' ILE . 70.3 t80 -69.22 -41.84 76.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.28 -27.69 63.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.583 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -75.99 -31.28 58.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.733 HD12 ' HA ' ' A' ' 20' ' ' PHE . 14.4 mt -72.47 107.15 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.056 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.9 m -164.42 138.28 5.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.43 -158.77 29.06 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.576 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.9 m -71.16 120.2 16.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.469 HG22 ' HA ' ' A' ' 149' ' ' SER . 39.4 pt -137.97 145.92 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.55 162.15 14.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.47 HD11 HD11 ' A' ' 76' ' ' LEU . 21.3 mt -134.79 135.79 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.159 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -116.9 114.47 23.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 49.1 mtt -82.55 -50.26 8.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.506 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 0.6 OUTLIER -104.7 -179.97 4.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.66 81.3 1.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.16 -27.29 16.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.506 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . . . -74.8 133.47 41.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.751 0.31 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -117.73 148.87 41.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.46 HG23 ' CD1' ' A' ' 132' ' ' ILE . 3.8 mt -60.92 97.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -78.99 143.3 35.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.88 134.27 50.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.3 mt -94.5 144.82 25.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.76 -30.21 67.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -67.74 -38.18 83.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.47 -23.24 2.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.538 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.08 168.72 18.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.656 ' HB3' HD12 ' A' ' 132' ' ' ILE . 35.2 m-85 -131.1 127.84 38.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 t -124.21 168.81 12.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.667 HD13 ' SG ' ' A' ' 126' ' ' CYS . 15.4 tp -73.62 110.15 7.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.06 151.89 52.59 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.463 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.32 148.94 97.65 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.697 0.284 . . . . 0.0 111.055 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.86 147.88 56.73 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.585 2.19 . . . . 0.0 112.316 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -74.16 146.89 43.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -53.53 46.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -91.51 177.79 6.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.62 -31.14 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.68 91.67 4.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -159.44 146.42 16.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.775 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.51 144.4 19.03 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.433 ' HD2' ' CZ2' ' A' ' 14' ' ' TRP . 50.8 Cg_exo -53.84 163.56 2.93 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.49 2.127 . . . . 0.0 112.327 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.6 p -68.04 163.29 52.24 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.8 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.533 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 52.2 Cg_exo -51.51 -47.95 23.67 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.517 2.145 . . . . 0.0 112.67 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 62.3 Cg_endo -73.4 -24.0 16.9 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.083 1.855 . . . . 0.0 112.397 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -72.4 -38.39 68.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -61.48 104.29 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.478 ' HB3' HD22 ' A' ' 76' ' ' LEU . 93.7 m-85 -89.31 149.85 22.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.35 114.03 27.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.94 151.44 31.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.23 113.42 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.488 ' HA ' HG22 ' A' ' 74' ' ' ILE . 1.9 mtpm? -72.04 148.4 45.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mt -133.55 -67.58 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 51.2 p -180.0 160.53 0.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.4 t0 59.42 31.07 20.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.978 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.418 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 0.8 OUTLIER 60.61 36.76 19.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -116.46 112.78 21.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.488 HG22 ' HA ' ' A' ' 68' ' ' LYS . 17.4 pt -103.96 164.35 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.22 135.34 52.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.478 HD22 ' HB3' ' A' ' 64' ' ' PHE . 26.7 mt -96.13 149.03 22.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.3 tttt -134.26 113.45 11.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 p -60.01 153.01 22.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.992 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.67 -27.66 68.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.544 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.19 -30.69 68.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 110.945 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.61 35.94 1.03 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.424 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -136.37 173.03 12.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -112.73 128.26 56.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.573 HD21 ' CE2' ' A' ' 45' ' ' PHE . 38.4 mt -60.07 121.54 12.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -135.43 148.02 19.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.549 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 pt -101.41 128.56 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 111.109 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -66.89 171.09 5.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.05 -33.68 73.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -67.42 -31.34 71.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.18 33.5 1.48 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.416 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.9 tp -110.63 148.29 32.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.651 HG21 HG22 ' A' ' 132' ' ' ILE . 21.6 t -89.36 117.19 32.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.2 m -139.34 178.49 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.214 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -163.72 106.52 0.28 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -157.88 31.27 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 t -120.56 132.75 55.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -98.48 31.0 2.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -156.41 164.03 38.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.6 mm -81.37 144.87 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.06 -172.17 22.48 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.449 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.02 -35.21 9.3 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.585 2.19 . . . . 0.0 112.283 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -75.69 -33.69 60.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.409 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 32.9 mp0 -76.39 -8.54 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.341 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -73.31 135.33 44.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.797 0.332 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.409 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 87.0 m95 -128.8 170.77 12.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -154.08 92.5 3.04 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -51.31 148.63 18.58 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.562 2.175 . . . . 0.0 112.375 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.11 111.81 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.538 ' HZ ' HD11 ' A' ' 23' ' ' ILE . 95.2 m-85 -93.31 137.92 32.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.967 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -140.26 98.86 3.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 60.0 49.56 7.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.95 -45.77 2.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.415 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -63.85 179.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.818 0.342 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.45 153.47 31.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.66 104.82 2.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.1 tp -61.23 124.14 19.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.7 tp -98.12 121.02 39.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.57 166.66 10.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.065 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.8 t -61.68 -17.08 54.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -94.85 23.82 5.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.285 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.5 p 55.17 39.36 31.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.083 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.681 ' CB ' ' HB1' ' A' ' 134' ' ' ALA . 66.4 m -135.78 141.84 44.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.851 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.658 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 91.1 m-85 -88.24 133.98 33.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 27.5 pt -61.38 149.41 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -164.05 135.32 4.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.667 ' SG ' HD13 ' A' ' 47' ' ' LEU . 27.4 p -84.14 172.72 11.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -122.78 179.66 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -86.79 -31.65 20.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.31 -42.38 25.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 132.81 49.83 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -142.75 106.63 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.656 HD12 ' HB3' ' A' ' 45' ' ' PHE . 31.2 mt -83.63 121.76 36.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.048 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -136.1 166.55 23.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.681 ' HB1' ' CB ' ' A' ' 122' ' ' CYS . . . -86.5 115.69 24.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.13 179.72 1.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.03 176.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -62.16 -46.4 89.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.9 m -59.93 135.1 57.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.658 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -108.41 113.63 26.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -83.69 177.73 52.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.36 -31.84 70.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -80.41 -30.44 37.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -28.1 65.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 10.6 mmt -58.22 146.77 32.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 3.0 pt -130.37 171.79 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -119.93 105.34 10.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 19.7 mt -94.58 118.1 39.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 27.5 mtt-85 -108.5 152.73 24.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.469 ' HA ' HG22 ' A' ' 27' ' ' ILE . 46.1 t -129.55 149.14 51.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 15.4 p -115.95 32.16 6.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.89 -175.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -103.82 100.43 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.5 142.29 29.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.813 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -172.87 107.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 62.1 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.913 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.839 0.352 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.5 tt -115.17 129.59 71.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.31 117.49 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.37 -89.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.441 HG13 ' CD1' ' A' ' 14' ' ' TRP . 43.7 pt -134.65 31.1 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 111.095 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.441 ' CD1' HG13 ' A' ' 13' ' ' ILE . 59.1 m95 -134.42 130.61 37.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 51.6 p-90 -127.54 141.39 51.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.14 134.32 50.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.609 HG21 HG12 ' A' ' 23' ' ' ILE . 17.2 m -72.91 163.77 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.1 m -106.33 -38.11 6.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.42 177.67 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.779 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 46.3 t80 -58.33 -44.0 88.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.047 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.26 -24.82 38.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.654 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.79 -30.75 22.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 20' ' ' PHE . 20.1 mt -72.05 90.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.053 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -150.43 144.46 25.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.11 -162.74 44.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.426 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -60.6 130.59 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.32 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 pt -147.81 164.5 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.65 142.44 50.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.1 mt -114.27 146.83 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -127.82 116.02 19.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.545 ' HA ' HG22 ' A' ' 145' ' ' ILE . 25.0 mtt -86.3 -60.11 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.804 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.71 179.98 5.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -80.61 86.52 5.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.07 -30.48 8.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.417 ' HB1' ' HG ' ' A' ' 47' ' ' LEU . . . -83.82 143.48 29.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.834 0.349 . . . . 0.0 111.111 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -119.46 159.97 23.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.572 HG23 HD13 ' A' ' 132' ' ' ILE . 3.2 mt -69.78 115.22 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -95.65 160.52 14.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -118.74 152.31 36.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.071 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.0 mt -119.96 144.78 47.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.95 -34.41 76.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -59.2 -26.5 64.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.989 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.68 30.34 2.03 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.568 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.6 mt -129.26 176.52 7.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.771 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.912 ' HB3' HD12 ' A' ' 132' ' ' ILE . 19.6 m-85 -140.13 132.88 29.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 t -138.37 159.83 41.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.417 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 12.5 tp -70.82 115.74 10.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.76 157.38 52.53 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.406 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.45 143.59 85.56 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.627 0.251 . . . . 0.0 111.056 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.78 166.11 30.88 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.451 2.1 . . . . 0.0 112.326 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -90.94 145.87 24.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.86 -32.6 21.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.19 161.05 21.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -84.39 -41.84 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.57 98.14 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -156.78 151.2 25.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -96.61 158.57 21.51 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.502 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.401 ' HD2' ' NE1' ' A' ' 14' ' ' TRP . 57.2 Cg_endo -71.42 171.55 15.96 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.583 2.188 . . . . 0.0 112.297 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.8 p -80.51 164.56 51.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.519 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 51.5 Cg_exo -53.18 -48.2 23.36 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.499 2.133 . . . . 0.0 112.63 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 60.5 Cg_endo -72.87 -26.3 15.75 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.173 1.915 . . . . 0.0 112.33 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.4 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 9.5 mt-10 -70.57 -31.62 68.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -73.63 156.55 37.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.4 ' CE2' ' O ' ' A' ' 62' ' ' GLU . 91.4 m-85 -136.91 147.06 46.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.68 119.62 38.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.36 144.29 25.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.01 120.27 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.409 ' HE3' ' CE2' ' A' ' 20' ' ' PHE . 5.6 mtpt -69.26 146.53 52.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.804 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.6 mt -133.39 -73.36 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.94 159.03 0.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.09 34.13 21.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.991 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.436 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 3.1 t 60.5 43.64 12.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 -120.84 129.92 53.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.779 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 15.8 pt -118.91 148.62 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.19 126.97 51.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.448 ' HB3' HD12 ' A' ' 84' ' ' LEU . 12.4 mt -97.97 134.46 41.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -119.0 116.84 27.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.3 p -61.45 152.24 30.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.77 -30.26 68.94 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -62.49 -30.8 71.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.1 35.21 1.14 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.517 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -135.67 171.39 14.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.785 0.326 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -103.06 136.53 42.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.448 HD12 ' HB3' ' A' ' 76' ' ' LEU . 96.0 mt -71.44 98.61 1.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -116.5 129.18 8.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 pt -72.66 132.88 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 111.145 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -76.74 175.63 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m -63.82 -38.83 92.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.61 -31.11 70.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 111.73 28.15 3.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.527 HD12 ' HB3' ' A' ' 133' ' ' GLU . 4.6 tp -105.4 127.81 53.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.555 ' CG2' HG22 ' A' ' 132' ' ' ILE . 21.6 t -64.32 108.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.068 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.8 m -127.51 164.75 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.147 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.32 96.55 0.2 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.545 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -150.27 63.73 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.798 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.26 135.8 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.84 30.55 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.34 166.77 22.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.2 mt -104.41 79.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -89.81 178.07 43.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -51.19 -49.16 17.99 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.598 2.199 . . . . 0.0 112.321 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 42.3 mtt85 -62.02 -30.91 71.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 26.9 mp0 -74.4 -30.64 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -63.44 144.27 57.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.405 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 94.8 m95 -131.67 166.62 21.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.68 93.82 4.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -68.62 154.11 72.13 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.436 2.091 . . . . 0.0 112.269 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.3 t -128.78 158.79 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.228 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.525 ' HZ ' HD11 ' A' ' 23' ' ' ILE . 78.2 m-85 -149.42 108.7 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -136.01 119.35 16.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 59.14 28.85 18.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.93 -28.38 12.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.518 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -62.41 179.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -174.39 148.43 1.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.421 ' HB3' ' CE1' ' A' ' 123' ' ' PHE . . . -157.81 135.58 10.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.6 tp -75.77 105.73 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.57 132.25 35.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.405 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -77.52 172.05 13.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.5 t -70.16 -9.87 57.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.275 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.405 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 47.4 p30 -94.08 22.09 6.17 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.242 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 m 56.02 48.09 18.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.891 0.376 . . . . 0.0 111.043 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.3 m -155.6 140.04 16.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.617 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 32.7 m-85 -69.73 -179.91 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 17.9 pt -135.72 148.65 28.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.232 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -162.23 173.78 13.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 49.5 t -122.2 156.83 32.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -100.84 179.86 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.71 -33.18 73.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.85 -30.63 68.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 112.2 30.98 2.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.465 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -107.1 104.25 13.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.912 HD12 ' HB3' ' A' ' 45' ' ' PHE . 17.4 mt -84.45 110.9 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.527 ' HB3' HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -135.11 168.14 19.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -85.46 128.33 34.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.64 173.79 7.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -60.46 173.35 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -59.87 -28.56 67.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 81.1 p -57.93 125.53 23.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.627 ' HB1' ' HE1' ' A' ' 144' ' ' MET . . . -96.63 102.49 14.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -75.27 176.5 49.88 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -68.08 -40.56 82.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.92 -28.22 60.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.26 -30.03 64.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.627 ' HE1' ' HB1' ' A' ' 139' ' ' ALA . 32.8 mmt -59.33 122.65 14.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.545 HG22 ' HA ' ' A' ' 31' ' ' MET . 25.4 pt -109.56 166.22 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -117.28 100.66 7.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 27.6 mt -77.94 126.77 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -123.82 139.41 54.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.5 t -113.89 152.66 30.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 10.3 p -130.45 32.58 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.857 0.361 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.8 tt -163.16 128.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.4 t -121.33 94.11 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.2 -80.62 0.72 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.432 HG13 ' CD1' ' A' ' 14' ' ' TRP . 13.8 pt -140.62 30.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 111.124 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.432 ' CD1' HG13 ' A' ' 13' ' ' ILE . 87.5 m95 -134.28 103.77 5.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -103.89 137.37 41.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 m -66.07 133.6 51.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.6 m -66.46 -179.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -141.23 -47.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -124.57 176.04 6.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.761 ' CE1' HG23 ' A' ' 74' ' ' ILE . 76.0 t80 -63.12 -30.62 71.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.06 -29.38 72.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.457 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.05 -31.85 73.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.472 HG21 HD13 ' A' ' 74' ' ' ILE . 14.0 mt -75.03 106.0 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.051 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.2 m -161.6 135.71 6.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.95 -141.04 27.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.8 m -72.04 138.85 48.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.644 HD13 ' HB2' ' A' ' 66' ' ' ALA . 23.4 pt -149.66 179.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.92 142.17 20.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mt -111.69 141.04 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -125.3 117.56 24.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.488 ' HE3' HD12 ' A' ' 124' ' ' ILE . 31.6 mtt -90.72 -49.76 6.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.65 174.76 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -78.39 82.01 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.14 -32.98 5.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.61 133.62 33.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 111.066 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -116.42 174.61 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.2 mt -79.45 114.15 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -97.61 157.94 15.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -118.4 148.0 42.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.8 mt -114.43 155.6 26.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -79.92 -31.65 40.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -59.5 -29.7 68.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.57 35.38 1.0 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.13 172.5 12.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.723 0.297 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.449 ' CZ ' ' CD2' ' A' ' 84' ' ' LEU . 12.1 m-85 -131.18 119.35 21.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 t -122.32 175.88 6.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.408 HD13 ' CB ' ' A' ' 126' ' ' CYS . 11.5 tp -87.75 111.75 21.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.49 159.08 30.71 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.486 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.41 141.85 88.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.692 0.282 . . . . 0.0 111.049 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.21 155.22 51.88 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.526 2.15 . . . . 0.0 112.331 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -85.31 163.8 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -95.91 -46.09 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.84 146.18 26.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -73.39 -36.12 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -87.09 65.44 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -145.92 127.39 15.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.31 166.08 49.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.53 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.23 163.32 34.77 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.575 2.183 . . . . 0.0 112.274 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.4 m -70.95 163.91 61.03 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.523 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 51.7 Cg_exo -54.32 -47.46 26.8 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.602 2.202 . . . . 0.0 112.679 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 70.8 Cg_endo -74.9 -24.48 13.02 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.248 1.965 . . . . 0.0 112.524 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -70.46 -30.81 67.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -75.58 130.13 38.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.872 ' CD1' HD11 ' A' ' 84' ' ' LEU . 89.6 m-85 -109.68 150.88 27.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.03 129.05 44.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.644 ' HB2' HD13 ' A' ' 27' ' ' ILE . . . -92.45 138.61 31.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.03 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.436 ' HB ' ' HB3' ' A' ' 75' ' ' ALA . 21.4 t -137.01 114.48 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.262 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.69 141.73 55.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.701 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.658 HD11 ' HB2' ' A' ' 75' ' ' ALA . 9.2 mt -125.73 -75.79 0.59 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.046 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.6 p 179.91 159.11 0.76 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 57.99 40.25 25.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.433 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 49.8 m 61.26 31.35 19.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 50.0 mmm-85 -108.17 142.11 38.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.761 HG23 ' CE1' ' A' ' 20' ' ' PHE . 12.2 pt -133.7 146.97 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.658 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -105.06 130.42 53.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.698 ' HB3' HD12 ' A' ' 84' ' ' LEU . 47.9 mt -93.11 157.81 16.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -141.29 145.41 35.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.7 p -83.04 153.74 24.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.93 -28.54 66.22 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.529 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -73.75 -50.01 22.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 141.6 53.26 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.562 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -147.85 135.89 21.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -73.28 126.86 31.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.872 HD11 ' CD1' ' A' ' 64' ' ' PHE . 90.5 mt -63.41 109.97 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -120.27 152.28 17.02 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.544 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.425 HG21 ' HB1' ' A' ' 118' ' ' ALA . 35.8 pt -94.46 153.4 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 111.114 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -93.34 179.24 5.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.5 m -75.81 -37.99 58.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.94 -41.39 74.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 131.11 43.49 0.18 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.642 HD12 ' HB3' ' A' ' 133' ' ' GLU . 4.4 tp -126.39 130.39 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.4 t -78.51 119.51 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.9 m -132.34 179.59 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.42 84.78 0.17 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.447 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -136.52 31.76 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.33 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 m -142.08 130.95 22.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.71 32.09 3.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -127.35 150.97 49.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.9 mt -90.54 89.46 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.92 167.24 15.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.436 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -51.95 -52.47 8.9 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.533 2.155 . . . . 0.0 112.348 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -59.65 -30.89 69.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.96 -29.29 61.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.471 ' OE1' HD13 ' A' ' 69' ' ' LEU . 1.6 mt-30 -64.73 165.92 9.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -143.4 151.35 40.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -122.1 89.1 48.5 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.533 ' HG3' HD11 ' A' ' 74' ' ' ILE . 52.6 Cg_exo -54.58 152.97 25.17 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.61 2.207 . . . . 0.0 112.201 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -136.44 144.95 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.447 ' HZ ' HD11 ' A' ' 23' ' ' ILE . 38.0 m-85 -145.21 129.72 17.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -148.92 116.48 6.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.52 33.9 20.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.45 -39.26 2.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -61.82 179.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.437 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 1.4 ptt? -169.5 155.25 6.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.39 123.18 5.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.1 tp -70.86 116.4 11.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.4 tp -99.72 118.2 35.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.432 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -61.14 167.03 3.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 t -68.97 -12.2 61.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.334 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.432 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 35.8 p30 -95.44 25.47 4.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.658 0.266 . . . . 0.0 111.172 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.21 41.23 29.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.994 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 40.0 m -142.1 141.05 32.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.967 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -78.67 132.22 36.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.488 HD12 ' HE3' ' A' ' 31' ' ' MET . 1.0 OUTLIER -72.54 158.75 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 59.6 ttt-85 -170.14 163.55 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.408 ' CB ' HD13 ' A' ' 47' ' ' LEU . 17.3 p -99.34 179.99 4.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -128.35 179.88 5.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -83.34 -43.78 15.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.24 -32.93 69.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 121.26 57.46 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.439 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -139.32 101.65 4.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.807 0.337 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.6 mm -69.66 108.22 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.642 ' HB3' HD12 ' A' ' 91' ' ' LEU . 3.7 pt-20 -134.01 169.53 16.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -90.75 146.46 23.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.47 179.95 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.28 162.83 4.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -59.9 -30.95 69.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.65 119.06 6.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -84.06 158.94 21.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.096 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -156.9 -179.91 32.21 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.54 -44.38 90.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.85 -36.94 70.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -64.14 -29.18 70.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.3 mmt -58.28 158.24 7.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 9.3 pt -141.19 173.4 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.65 115.67 13.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 27.6 mt -100.32 147.09 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -138.28 149.92 46.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 46.1 t -119.44 158.72 25.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 14.0 p -121.79 35.47 4.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.788 0.328 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 tt -122.36 134.58 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.71 89.14 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.59 -83.54 0.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.474 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.1 pp -136.67 30.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.445 ' NE1' HD11 ' A' ' 13' ' ' ILE . 88.6 m95 -135.47 112.3 10.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.3 p-90 -111.73 142.95 43.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.73 158.08 35.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 147' ' ' ILE . 9.9 m -98.37 169.42 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.149 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.1 -44.99 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -123.56 178.51 5.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 72' ' ' SER . 25.7 t80 -66.68 -32.5 73.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.67 -28.54 68.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.469 ' HB3' HG12 ' A' ' 17' ' ' VAL . 3.2 mm-40 -71.37 -30.36 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 111.008 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.602 HG21 HD13 ' A' ' 74' ' ' ILE . 32.8 mt -70.07 91.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.8 p -156.66 138.19 14.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.57 -134.11 12.4 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.538 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.1 m -92.5 129.0 38.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.504 HD11 HD21 ' A' ' 76' ' ' LEU . 8.9 pt -134.71 169.2 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.43 117.06 11.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.612 ' CG2' HD12 ' A' ' 145' ' ' ILE . 1.9 mp -90.53 139.11 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -123.29 120.34 32.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.41 ' HE2' ' HA ' ' A' ' 125' ' ' ARG . 7.4 mtp -94.17 -51.06 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.446 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 2.0 t0 -100.0 171.3 7.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -76.67 80.97 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.57 -27.57 6.84 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.56 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . . . -85.96 157.24 20.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 111.153 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -135.03 169.13 17.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.556 HD12 ' HB ' ' A' ' 29' ' ' ILE . 26.0 mt -77.69 114.69 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -108.9 143.43 38.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.608 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -107.63 156.86 18.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.9 mt -114.66 145.41 42.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.15 -33.2 70.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -62.81 -30.26 71.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 129.9 -24.38 4.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.612 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.71 166.61 23.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.754 0.311 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.842 ' HB3' HD12 ' A' ' 132' ' ' ILE . 11.5 m-85 -128.73 123.58 33.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.0 t -118.38 166.8 12.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.663 HD13 ' SG ' ' A' ' 126' ' ' CYS . 13.4 tp -84.49 112.68 20.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.41 143.89 48.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.84 148.92 74.85 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.668 0.271 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.72 138.21 34.27 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.577 2.184 . . . . 0.0 112.275 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -60.51 163.42 5.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.14 -56.15 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -74.28 163.78 27.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.2 p -83.5 -31.11 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.52 86.44 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -153.52 129.7 10.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.81 164.99 45.3 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.438 ' HD2' ' CE2' ' A' ' 14' ' ' TRP . 53.2 Cg_endo -69.8 150.69 68.3 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.54 2.16 . . . . 0.0 112.329 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.46 162.94 22.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.551 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 59.8 Cg_exo -50.3 -50.61 13.0 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.582 2.188 . . . . 0.0 112.707 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 37.8 Cg_endo -66.41 -25.55 48.66 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.133 1.889 . . . . 0.0 112.19 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 76.7 mt-10 -78.98 -27.73 43.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -71.28 113.46 8.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' A' ' 62' ' ' GLU . 94.8 m-85 -97.53 152.78 18.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.9 m -116.26 119.36 35.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.57 145.41 24.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.92 110.92 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -61.99 153.24 30.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mt -136.46 -65.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.02 151.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.59 34.2 20.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 3.5 m 60.98 42.33 12.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 -117.33 109.0 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.602 HD13 HG21 ' A' ' 23' ' ' ILE . 4.8 pt -98.66 157.53 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.94 112.58 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.504 HD21 HD11 ' A' ' 27' ' ' ILE . 14.9 mt -76.87 143.44 39.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -131.31 119.69 22.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.3 p -59.61 149.86 29.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.33 -27.89 61.12 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -60.49 -38.69 85.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.2 42.57 0.29 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -145.93 164.56 31.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.899 0.381 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -96.8 140.15 31.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.404 HD11 ' CE2' ' A' ' 64' ' ' PHE . 75.7 mt -74.31 106.98 6.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -117.6 126.96 7.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.522 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.4 pt -72.05 133.56 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 111.096 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -78.37 172.79 13.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t -60.33 -31.58 70.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.06 -35.95 48.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.831 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 118.55 36.31 0.92 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 133' ' ' GLU . 3.0 tp -108.27 138.19 44.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.02 103.8 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.05 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.3 m -122.61 176.07 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -155.62 93.05 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.573 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -141.87 35.8 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.807 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.08 160.22 32.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -121.39 31.95 6.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.47 -179.86 7.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -110.83 97.91 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.79 174.39 21.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.545 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.54 -51.25 11.56 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.596 2.198 . . . . 0.0 112.325 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -59.77 -28.9 67.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.41 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 3.0 mp0 -77.28 -25.7 51.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.15 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -57.89 146.85 30.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.114 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.41 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 96.1 m95 -131.09 -179.95 5.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.786 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -161.8 90.16 1.45 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.7 170.21 17.02 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.537 2.158 . . . . 0.0 112.241 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.4 t -146.93 156.98 10.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.466 ' CZ ' HD11 ' A' ' 23' ' ' ILE . 83.7 m-85 -149.69 114.37 5.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -145.84 132.94 20.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 57.9 25.26 11.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.99 -29.67 9.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.559 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -67.79 179.3 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 110.976 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.429 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 5.3 ptp -167.21 128.89 1.61 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.31 128.84 30.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.7 tp -78.74 121.16 24.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 21.8 tp -101.94 121.62 42.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.72 170.23 12.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.2 t -73.09 -8.41 55.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.334 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -95.97 25.5 4.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.764 0.316 . . . . 0.0 111.167 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 m 55.51 30.5 15.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.156 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.1 m -140.29 127.35 20.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -60.53 -179.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.628 HD11 HD13 ' A' ' 145' ' ' ILE . 2.2 pp -116.57 156.8 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.41 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 0.1 OUTLIER -176.3 153.95 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.663 ' SG ' HD13 ' A' ' 47' ' ' LEU . 18.4 p -97.49 174.29 6.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -128.84 179.76 5.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -81.78 -36.76 28.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.89 69.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 115.42 31.52 1.98 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.563 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -120.74 116.02 24.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.842 HD12 ' HB3' ' A' ' 45' ' ' PHE . 30.8 mt -95.36 96.58 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.43 ' HB3' HD12 ' A' ' 91' ' ' LEU . 6.9 pt-20 -117.18 167.39 11.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -81.86 130.38 35.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -84.9 171.02 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -63.28 179.28 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -34.14 73.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.54 107.54 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -90.63 132.27 35.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -111.88 -179.99 19.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.535 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.81 -32.25 73.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.83 -31.53 63.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -65.19 -29.49 70.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.008 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.9 mmt -58.35 137.19 57.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.628 HD13 HD11 ' A' ' 124' ' ' ILE . 13.1 pt -126.85 168.97 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -121.79 103.16 8.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.47 ' O ' HG22 ' A' ' 17' ' ' VAL . 23.3 mt -87.83 117.81 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -104.48 169.79 8.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 31.2 t -140.37 152.89 46.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . 0.404 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 26.5 p -136.08 31.36 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.841 0.353 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 tt -151.69 128.07 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.9 99.59 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.79 -83.98 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.418 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.423 HG13 ' CD1' ' A' ' 14' ' ' TRP . 19.8 pt -143.35 30.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 111.136 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.423 ' CD1' HG13 ' A' ' 13' ' ' ILE . 61.2 m95 -137.08 130.68 31.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -130.56 134.02 46.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 84.8 m -62.36 123.54 18.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.3 m -65.68 179.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -127.01 -44.87 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -124.63 -178.76 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.644 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 66.7 t80 -72.2 -35.64 68.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.12 -27.34 59.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.588 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.5 -30.14 61.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.498 HG23 HD13 ' A' ' 27' ' ' ILE . 32.1 mt -68.73 97.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 83.8 p -156.91 142.2 17.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.48 -128.6 8.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 m -93.96 136.58 34.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.544 ' CD1' ' HB2' ' A' ' 66' ' ' ALA . 33.7 pt -149.34 141.31 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.46 131.83 54.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.567 ' HB ' HD12 ' A' ' 37' ' ' ILE . 20.1 mt -105.65 127.75 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -108.79 124.85 51.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.457 ' HE3' HD12 ' A' ' 124' ' ' ILE . 12.7 mtp -99.64 -48.93 4.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.91 179.97 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.813 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 85.41 4.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.795 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.23 -29.72 10.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.424 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.81 161.13 27.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.997 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -140.41 154.84 46.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.567 HD12 ' HB ' ' A' ' 29' ' ' ILE . 4.9 mt -62.37 105.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -88.68 152.14 22.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -112.69 126.05 54.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 40' ' ' LEU . 22.9 mt -86.17 174.83 8.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -94.94 -34.9 12.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -60.18 -31.45 70.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.99 40.25 0.42 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.528 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mt -140.91 179.96 6.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -140.43 119.49 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 t -117.58 161.45 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.549 HD13 ' SG ' ' A' ' 126' ' ' CYS . 14.7 tp -60.19 111.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.93 145.38 43.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.77 134.46 95.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.567 0.223 . . . . 0.0 111.054 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.8 150.5 78.86 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.461 2.107 . . . . 0.0 112.28 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -95.69 132.26 41.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -62.36 -51.21 68.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -72.54 151.77 42.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.6 t -81.1 -30.45 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -95.1 44.41 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -107.88 111.54 23.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.02 161.0 47.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.14 168.99 20.45 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.601 2.201 . . . . 0.0 112.326 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.416 ' HB3' ' HD2' ' A' ' 61' ' ' PRO . 55.2 m -99.91 163.17 18.92 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.685 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.544 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 78.2 Cg_exo -48.93 -51.04 11.26 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.455 2.103 . . . . 0.0 112.846 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 37.2 Cg_endo -65.57 -25.49 54.94 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.096 1.864 . . . . 0.0 112.223 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -85.51 -31.29 22.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -68.06 155.94 38.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.415 ' CE1' HD11 ' A' ' 84' ' ' LEU . 98.3 m-85 -134.62 163.01 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 m -126.8 134.17 50.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.544 ' HB2' ' CD1' ' A' ' 27' ' ' ILE . . . -94.44 165.19 12.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -151.98 101.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -60.92 119.79 8.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.812 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.446 HD11 ' HB2' ' A' ' 75' ' ' ALA . 91.5 mt -112.42 -73.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.99 157.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 59.31 33.6 22.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.428 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 14.7 m 60.58 39.04 18.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.72 114.57 22.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.644 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 9.6 pt -105.3 149.75 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.16 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.446 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -102.21 100.82 11.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 105' ' ' TRP . 30.7 mt -61.02 160.26 10.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -156.65 118.76 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 64.9 p -67.94 154.99 40.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.61 -30.82 69.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -59.92 -30.61 69.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.58 38.18 1.11 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.45 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -130.34 161.73 30.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -96.6 124.22 40.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.473 ' HA ' HD23 ' A' ' 84' ' ' LEU . 12.2 mt -66.04 120.02 12.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.844 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -135.52 157.6 23.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.403 HG23 ' CH2' ' A' ' 105' ' ' TRP . 1.4 pt -111.37 141.71 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -72.5 171.07 13.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.805 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.1 -33.99 72.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.88 -33.27 65.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 123.06 45.67 0.29 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.514 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 tp -125.35 120.32 30.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.4 HG22 HG22 ' A' ' 86' ' ' ILE . 19.6 t -73.03 109.38 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.7 m -134.54 139.97 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.063 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -110.65 90.17 0.57 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -158.44 45.09 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.3 t -112.2 -37.57 4.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 60.97 33.92 19.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -160.45 165.2 31.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.073 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.3 mt -95.86 84.32 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.27 166.71 24.53 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.566 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.46 -36.63 70.66 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.557 2.171 . . . . 0.0 112.314 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -74.31 -31.07 62.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.411 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 8.5 mp0 -65.38 -30.07 70.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.99 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -64.97 141.08 58.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.541 ' CD1' HD12 ' A' ' 76' ' ' LEU . 86.7 m95 -124.75 143.76 50.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -114.87 91.79 27.64 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.008 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.53 125.26 12.55 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.47 2.114 . . . . 0.0 112.215 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 109' ' ' PHE . 19.1 t -97.13 159.79 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.485 ' N ' HG12 ' A' ' 108' ' ' VAL . 61.7 m-85 -146.53 125.03 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.81 117.29 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.97 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 57.67 34.42 24.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.035 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.06 -38.94 2.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -58.36 176.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 6.0 ptp -160.29 152.76 20.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -151.57 128.28 10.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.501 HD21 HD11 ' A' ' 76' ' ' LEU . 17.3 tp -77.56 112.97 14.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.0 tp -98.48 132.2 44.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.604 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -77.07 168.05 20.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 44.2 t -66.76 -13.8 61.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.224 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.604 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 34.5 p30 -94.44 22.53 6.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.246 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.3 m 55.12 33.77 21.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.847 0.356 . . . . 0.0 111.051 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 56.7 m -130.95 130.99 44.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.466 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 22.4 m-85 -65.65 -179.98 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.457 HD12 ' HE3' ' A' ' 31' ' ' MET . 14.9 pt -126.71 162.57 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.133 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -176.47 143.91 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.549 ' SG ' HD13 ' A' ' 47' ' ' LEU . 26.4 p -85.83 147.76 26.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -94.14 171.81 8.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -31.28 72.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.33 -34.79 21.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.065 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 135.24 -23.88 3.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.644 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -57.01 109.01 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.789 0.328 . . . . 0.0 110.984 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.7 mt -88.38 119.67 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -128.79 175.11 8.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -101.29 115.74 31.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.43 167.43 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -59.49 178.34 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -59.05 -24.92 63.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 12.1 p -55.03 107.18 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.466 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -87.11 112.7 22.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -94.93 178.44 36.14 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.558 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.63 -37.68 88.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.34 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -73.55 -31.49 63.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.19 -31.05 69.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 29.8 mmt -59.68 116.83 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 4.3 pt -110.07 169.86 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -130.39 94.32 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 19.6 mt -75.37 118.35 21.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.135 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -108.64 154.75 21.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.522 ' HB2' HG22 ' A' ' 27' ' ' ILE . 10.7 t -132.44 134.32 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . 0.402 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 26.7 p -99.62 36.67 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.825 0.345 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 tt -120.93 130.09 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.617 HG13 ' HA ' ' A' ' 55' ' ' ASP . 22.0 t -120.69 88.86 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.06 -81.1 0.25 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.416 HG13 ' CD1' ' A' ' 14' ' ' TRP . 27.9 pt -133.01 31.11 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.354 . . . . 0.0 111.102 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.416 ' CD1' HG13 ' A' ' 13' ' ' ILE . 68.8 m95 -135.8 116.37 13.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.468 ' HZ2' ' HB3' ' A' ' 151' ' ' ALA . 51.1 p-90 -114.85 139.24 49.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.4 m -64.19 128.86 37.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.4 m -63.55 164.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.39 -31.99 7.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -162.04 -178.74 6.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.786 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 22.0 t80 -57.84 -40.24 79.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.09 -26.04 41.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.663 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -84.65 -31.04 24.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.527 HG21 HD13 ' A' ' 74' ' ' ILE . 36.5 mt -74.26 105.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.048 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.1 t -172.75 93.15 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.61 -158.83 22.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.3 m -66.37 117.2 8.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.722 0.296 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.618 HD11 HD21 ' A' ' 76' ' ' LEU . 2.0 pp -139.48 163.51 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.04 162.61 24.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.436 HG23 HD12 ' A' ' 145' ' ' ILE . 2.8 mp -132.48 128.13 57.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -108.84 111.85 23.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.511 ' CE ' HD12 ' A' ' 124' ' ' ILE . 6.8 mtt -86.52 -46.26 10.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.63 178.89 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -88.41 80.15 7.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.54 -27.39 6.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.488 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.35 167.5 11.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.845 0.355 . . . . 0.0 111.074 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -141.43 169.95 16.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.7 mt -75.29 118.23 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -106.66 151.24 25.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.38 167.26 10.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.0 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.4 mt -135.48 145.09 46.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -65.15 -31.33 72.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -60.01 -31.77 70.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.08 36.39 0.95 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.521 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.5 mt -140.69 158.78 43.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.424 ' CE2' HD21 ' A' ' 84' ' ' LEU . 42.7 m-85 -119.59 125.67 49.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.4 t -124.07 167.09 14.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.2 tp -79.7 110.11 14.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.66 173.35 4.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.15 140.52 49.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.656 0.265 . . . . 0.0 111.053 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.61 126.6 11.62 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.494 2.129 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -61.82 158.74 15.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.95 -64.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -76.08 157.97 32.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -76.57 -54.51 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.617 ' HA ' HG13 ' A' ' 11' ' ' VAL . 11.5 t70 -74.37 77.06 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -140.95 134.09 29.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.25 148.91 28.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.42 158.9 55.69 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.661 2.241 . . . . 0.0 112.418 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.405 ' HB3' ' HD2' ' A' ' 61' ' ' PRO . 0.3 OUTLIER -72.57 159.46 85.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.54 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 58.0 Cg_exo -49.96 -52.07 9.62 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.456 2.104 . . . . 0.0 112.776 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 35.9 Cg_endo -64.66 -24.94 62.0 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.18 1.92 . . . . 0.0 112.282 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -77.1 -31.72 56.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -66.3 137.27 56.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.45 ' CE1' HD11 ' A' ' 84' ' ' LEU . 77.7 m-85 -118.27 161.96 19.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.23 124.35 48.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.06 130.91 53.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.2 t -127.74 136.75 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -72.11 154.75 40.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.593 HD11 ' HB2' ' A' ' 75' ' ' ALA . 75.4 mt -138.06 -75.2 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.4 p 179.93 150.51 0.37 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.34 38.34 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.029 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.433 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER 62.01 35.35 16.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -112.67 120.76 42.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.786 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 16.4 pt -112.36 150.13 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.593 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -106.93 128.25 54.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.031 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.618 HD21 HD11 ' A' ' 27' ' ' ILE . 15.0 mt -94.82 156.71 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -147.84 134.14 19.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.789 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.3 p -70.87 160.99 31.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.987 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.63 -28.59 72.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -64.78 -42.64 94.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.06 42.82 0.21 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.544 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -137.86 137.61 38.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -78.49 129.52 34.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 76' ' ' LEU . 85.1 mt -64.64 106.37 1.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -115.08 139.62 15.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.585 HD13 ' OD1' ' A' ' 120' ' ' ASN . 1.6 pt -85.51 156.82 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 111.125 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -108.0 166.63 10.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 p -62.37 -38.95 91.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.02 -31.53 72.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 112.39 28.54 3.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.549 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tp -106.39 138.18 43.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -83.23 110.45 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.4 m -128.49 163.15 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.45 80.25 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -132.56 35.81 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -139.28 131.84 28.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -98.96 31.48 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -121.06 -175.52 3.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.2 mt -131.74 84.09 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.172 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.95 -160.29 21.7 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 -42.22 3.68 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.577 2.185 . . . . 0.0 112.378 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.72 -32.82 74.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.402 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 12.3 mp0 -73.74 -27.73 61.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.974 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -62.98 167.25 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.016 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.412 ' HB3' HD11 ' A' ' 116' ' ' LEU . 86.3 m95 -150.92 168.54 24.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -144.4 93.76 5.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.22 147.6 66.7 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.521 2.147 . . . . 0.0 112.232 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.0 t -132.72 150.19 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.17 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -127.4 139.19 53.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.773 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -149.96 104.66 3.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 58.35 42.9 20.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.37 -44.32 2.46 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.457 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -58.76 172.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.82 146.66 23.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -143.04 124.42 14.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 105' ' ' TRP . 40.8 tp -76.45 105.19 7.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.0 tp -88.05 129.7 35.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.508 ' HB1' HG21 ' A' ' 86' ' ' ILE . . . -72.82 163.85 27.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.4 t -66.26 -15.42 63.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.27 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.585 ' OD1' HD13 ' A' ' 86' ' ' ILE . 9.5 p-10 -95.95 26.3 4.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.704 0.288 . . . . 0.0 111.174 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.1 p 55.83 44.76 25.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 111.05 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.689 ' HB3' ' HB1' ' A' ' 134' ' ' ALA . 91.1 m -137.83 133.28 33.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -81.73 122.74 28.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.511 HD12 ' CE ' ' A' ' 31' ' ' MET . 1.2 pt -61.91 159.79 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -171.27 174.29 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.0 p -115.14 165.95 12.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -126.03 152.98 45.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.04 -31.36 69.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.59 -42.77 61.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.084 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 127.67 44.65 0.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -130.19 118.43 21.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 29.9 mm -92.05 99.29 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -123.32 173.75 7.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.689 ' HB1' ' HB3' ' A' ' 122' ' ' CYS . . . -96.95 130.83 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.44 -179.9 5.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.787 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.23 172.55 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -60.66 -31.86 71.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 14.3 p -59.82 115.45 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.701 ' HB1' ' CE ' ' A' ' 144' ' ' MET . . . -94.75 111.62 23.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -90.43 174.6 40.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -60.14 -33.07 71.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -76.56 -37.11 57.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -61.61 -29.5 70.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.701 ' CE ' ' HB1' ' A' ' 139' ' ' ALA . 37.6 mmt -58.53 132.66 54.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.436 HD12 HG23 ' A' ' 29' ' ' ILE . 9.0 pt -119.28 179.98 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -136.57 101.88 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 20.7 mt -83.84 134.75 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.176 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 31.1 mtt-85 -130.49 133.14 46.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.485 ' HA ' HG22 ' A' ' 27' ' ' ILE . 38.6 t -98.3 165.03 12.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 26.3 p -121.74 31.63 6.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.468 ' HB3' ' HZ2' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 t0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.781 0.324 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 tt -113.17 129.31 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.2 101.12 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.8 -79.92 0.25 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.404 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.1 pp -143.2 30.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 111.082 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.404 ' CD1' HG13 ' A' ' 13' ' ' ILE . 34.3 m95 -135.07 136.92 42.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -117.73 117.58 29.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.3 m -60.02 134.48 57.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.622 HG12 ' HB3' ' A' ' 22' ' ' GLU . 13.0 m -83.51 169.02 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.8 t -126.89 -45.22 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -112.1 176.14 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.457 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 79.3 t80 -71.83 -31.74 66.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.67 -28.05 62.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.556 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.622 ' HB3' HG12 ' A' ' 17' ' ' VAL . 61.0 mm-40 -70.96 -28.93 64.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.723 0.297 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.806 HG21 HG21 ' A' ' 74' ' ' ILE . 36.5 mm -60.3 103.32 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 p -171.69 140.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.53 -163.51 48.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.519 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.0 m -69.83 130.15 41.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.753 0.311 . . . . 0.0 110.81 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.545 HG12 ' HB2' ' A' ' 66' ' ' ALA . 2.6 pp -144.68 153.18 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.87 147.0 40.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.043 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.441 ' CG2' HD12 ' A' ' 145' ' ' ILE . 2.0 mp -119.9 112.16 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.06 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 27.7 tt0 -93.89 118.83 31.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.767 ' HE2' HD12 ' A' ' 124' ' ' ILE . 12.5 mtt -84.51 -63.43 1.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.94 175.43 6.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -74.05 81.68 1.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.05 -27.85 7.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.467 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.72 ' HB1' ' HG ' ' A' ' 47' ' ' LEU . . . -90.06 140.98 29.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.731 0.301 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.41 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 43.7 m-85 -126.8 159.59 33.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.809 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.414 HG23 HG13 ' A' ' 132' ' ' ILE . 11.8 mt -70.47 107.56 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -90.87 143.81 26.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.51 145.19 27.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.7 mt -120.86 136.05 55.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.36 -29.52 69.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -57.45 -27.39 62.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.056 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.25 30.79 2.0 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 mt -137.89 -179.94 6.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.578 ' CE2' HD21 ' A' ' 84' ' ' LEU . 29.0 m-85 -141.75 129.73 21.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.9 t -135.47 161.62 34.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.72 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 7.6 tp -72.11 110.83 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.038 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.82 162.24 16.58 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.458 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.27 143.2 98.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.643 0.258 . . . . 0.0 111.132 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.44 146.5 44.79 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.59 2.193 . . . . 0.0 112.277 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -80.08 158.96 26.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -74.49 -48.47 27.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -98.69 133.88 42.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.78 -49.72 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -74.1 68.72 1.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -143.61 146.1 33.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.95 152.99 32.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.466 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.71 154.99 70.27 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.566 2.178 . . . . 0.0 112.372 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.55 159.66 66.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.578 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 76.8 Cg_exo -49.18 -49.56 15.07 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.641 2.227 . . . . 0.0 112.793 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 36.2 Cg_endo -65.49 -22.86 58.42 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.136 1.891 . . . . 0.0 112.277 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -83.63 -31.06 26.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.863 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -65.24 114.58 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.458 ' CE1' HD11 ' A' ' 84' ' ' LEU . 89.5 m-85 -101.36 173.08 6.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.74 136.98 52.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.545 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -105.11 144.95 31.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.003 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.578 ' HB ' ' HB3' ' A' ' 75' ' ' ALA . 21.4 t -141.8 110.33 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.439 ' HE3' ' CE2' ' A' ' 20' ' ' PHE . 7.9 mtpt -69.5 109.38 4.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' A' ' 75' ' ' ALA . 15.5 mt -90.94 -69.82 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.01 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.7 m 179.93 162.34 0.98 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 58.18 36.91 26.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.43 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 0.1 OUTLIER 60.75 32.74 20.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -114.8 130.08 56.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.806 HG21 HG21 ' A' ' 23' ' ' ILE . 16.9 pt -109.88 165.94 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.189 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.613 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -121.01 106.78 11.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.501 ' HB3' HD12 ' A' ' 84' ' ' LEU . 12.9 mt -74.12 141.65 45.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -139.77 129.12 24.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.15 160.77 30.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.65 -29.3 71.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.513 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -62.22 -30.43 71.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.706 0.289 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.03 31.21 2.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -125.83 149.05 48.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -88.98 133.85 34.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.578 HD21 ' CE2' ' A' ' 45' ' ' PHE . 20.1 mt -69.87 147.86 49.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.17 159.56 32.41 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.565 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.619 HG22 HG22 ' A' ' 92' ' ' VAL . 6.3 pt -105.97 144.41 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 111.155 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -80.87 178.65 8.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -66.02 -30.95 71.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.5 -39.19 47.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 141.04 -20.74 2.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.633 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.441 HD23 HG13 ' A' ' 93' ' ' VAL . 0.4 OUTLIER -57.13 143.8 37.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 0.0 111.029 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.619 HG22 HG22 ' A' ' 86' ' ' ILE . 28.0 t -98.44 111.4 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.057 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.441 HG13 HD23 ' A' ' 91' ' ' LEU . 30.2 m -120.4 176.82 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -145.51 86.96 0.17 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.07 54.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.924 0.393 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.2 t -116.96 -39.91 3.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 61.53 31.76 18.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -167.29 168.93 12.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.045 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.484 HD13 HD22 ' A' ' 69' ' ' LEU . 31.6 mt -89.28 131.95 35.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.77 164.92 28.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.82 -45.48 40.36 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.565 2.177 . . . . 0.0 112.316 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -73.35 -41.34 63.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.401 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 0.7 OUTLIER -59.83 -29.66 68.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.982 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -63.05 165.48 6.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.419 ' CE3' ' HA ' ' A' ' 118' ' ' ALA . 81.7 m95 -143.77 179.61 7.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -160.95 94.04 1.47 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.98 141.39 44.2 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.434 2.089 . . . . 0.0 112.243 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.94 127.45 74.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.426 ' CD2' ' HB3' ' A' ' 114' ' ' MET . 5.3 m-85 -116.1 125.97 53.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.05 131.44 14.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.35 45.3 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 62.91 28.13 71.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -125.05 -179.94 4.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.791 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.426 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 2.4 ptp -153.49 156.25 37.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -167.55 112.08 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.686 ' H ' HD11 ' A' ' 145' ' ' ILE . 12.7 tp -63.79 128.5 36.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.0 tp -110.73 125.09 53.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.419 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -68.78 168.53 13.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.5 t -68.56 -12.25 61.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.244 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -94.92 24.01 5.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.167 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 55.55 30.92 16.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.829 0.347 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.559 ' HB3' ' HB1' ' A' ' 134' ' ' ALA . 7.2 m -133.02 126.57 32.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.55 ' CD2' ' HB2' ' A' ' 139' ' ' ALA . 68.1 m-85 -60.59 176.73 0.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.767 HD12 ' HE2' ' A' ' 31' ' ' MET . 12.3 pt -102.87 156.78 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -163.09 155.84 18.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.622 ' CB ' HD13 ' A' ' 47' ' ' LEU . 7.2 p -110.21 126.54 54.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -75.39 165.13 25.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.45 -31.44 53.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.42 -39.09 65.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.032 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 129.9 55.14 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -149.13 117.25 6.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.414 HG13 HG23 ' A' ' 37' ' ' ILE . 28.8 mm -81.17 104.15 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.147 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.72 175.16 5.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.559 ' HB1' ' HB3' ' A' ' 122' ' ' CYS . . . -96.81 136.99 36.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.91 164.24 12.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.771 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -55.55 172.53 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.01 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -59.3 -46.93 87.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 61.8 p -60.52 99.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.55 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . . . -86.29 119.14 26.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.045 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -71.84 176.76 39.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -64.2 -35.79 81.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -83.44 -27.06 29.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -28.07 54.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.019 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.5 mmt -58.01 154.28 12.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.718 HD13 HD11 ' A' ' 124' ' ' ILE . 22.1 pt -135.26 177.5 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -131.82 114.55 14.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 3.3 mt -96.99 113.75 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.103 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -103.17 145.34 30.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.526 ' HA ' HG22 ' A' ' 27' ' ' ILE . 41.5 t -119.0 153.44 34.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 11.6 p -126.51 35.8 4.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.854 0.359 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 15' ' ' TRP . 5.0 tt -133.4 125.72 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.56 95.38 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.129 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.45 -69.85 0.52 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.531 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.412 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.8 pt -149.45 30.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.373 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.412 ' CD1' HG13 ' A' ' 13' ' ' ILE . 84.8 m95 -135.65 103.29 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.453 ' HB3' HD12 ' A' ' 10' ' ' ILE . 57.2 p-90 -100.4 129.85 46.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.5 m -68.64 133.08 47.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.969 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.724 HG21 HG12 ' A' ' 23' ' ' ILE . 10.4 m -72.4 152.35 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -111.2 -32.88 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -122.46 -178.4 3.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.616 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 28.7 t80 -80.54 -33.85 35.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.88 -28.07 72.17 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.539 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.45 ' HB3' HG12 ' A' ' 17' ' ' VAL . 4.3 mm-40 -71.47 -34.12 69.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.724 HG12 HG21 ' A' ' 17' ' ' VAL . 31.1 mt -71.07 106.41 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -168.44 130.6 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.45 -156.4 28.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.3 m -60.16 132.83 55.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.479 HD11 HD21 ' A' ' 76' ' ' LEU . 2.4 pt -144.73 174.51 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.41 111.32 6.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.49 HG22 ' N ' ' A' ' 30' ' ' GLU . 3.4 mt -88.63 158.39 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.037 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.49 ' N ' HG22 ' A' ' 29' ' ' ILE . 42.3 tt0 -143.18 103.38 4.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.768 ' HA ' HG22 ' A' ' 145' ' ' ILE . 15.7 mtt -69.21 -75.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.52 179.97 6.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -77.82 80.36 4.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.44 -28.17 7.64 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.574 ' HB1' ' HG ' ' A' ' 47' ' ' LEU . . . -77.8 145.38 36.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.785 0.326 . . . . 0.0 111.172 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -123.12 167.3 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.5 mt -84.29 112.12 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -93.63 150.72 20.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -107.59 146.4 31.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.526 HD12 ' HB2' ' A' ' 44' ' ' LEU . 89.9 mt -114.33 151.26 33.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -74.08 -34.44 64.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -59.65 -30.33 68.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.48 37.77 0.71 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.528 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.526 ' HB2' HD12 ' A' ' 40' ' ' LEU . 4.2 mt -140.82 179.99 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.492 ' CE2' HD21 ' A' ' 84' ' ' LEU . 42.6 m-85 -140.55 137.9 34.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.9 t -135.75 161.15 36.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.574 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 12.4 tp -68.56 124.91 24.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.56 155.36 39.42 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.01 114.07 16.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.547 0.213 . . . . 0.0 111.076 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.455 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 63.0 Cg_exo -51.37 177.04 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.438 2.092 . . . . 0.0 112.42 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -110.42 144.61 38.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -71.83 -54.32 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.49 147.37 49.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.67 -34.99 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -108.29 92.38 4.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.58 131.35 21.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.26 147.61 25.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.426 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.49 157.6 58.49 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.542 2.161 . . . . 0.0 112.398 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.41 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . 21.0 m -80.3 162.95 59.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.681 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.491 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 41.8 Cg_exo -55.27 -45.89 36.85 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.495 2.13 . . . . 0.0 112.639 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 60' ' ' PRO . 50.7 Cg_exo -52.22 -27.53 30.53 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.537 2.158 . . . . 0.0 112.331 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.422 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 8.3 mt-10 -91.03 -23.78 20.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -64.27 116.0 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 111.015 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.534 ' CE1' HD11 ' A' ' 84' ' ' LEU . 95.4 m-85 -104.44 -179.98 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.89 120.71 16.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.77 153.02 18.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.9 130.13 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -70.72 146.96 49.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.597 HD11 ' HB2' ' A' ' 75' ' ' ALA . 42.5 mt -134.56 -72.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.7 p 179.93 153.63 0.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.06 37.37 26.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.986 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m 61.21 31.11 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mmm-85 -106.99 112.82 25.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.616 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 4.4 pt -102.48 158.15 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.19 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.597 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -114.68 122.78 47.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.082 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.86 ' HB3' HD12 ' A' ' 84' ' ' LEU . 15.8 mt -88.22 154.34 20.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.0 129.26 23.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.414 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . 99.1 p -65.15 150.44 48.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.31 -26.65 56.77 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.608 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -68.96 -38.18 79.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 140.31 -15.97 2.96 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.708 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -81.24 173.5 12.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.806 0.336 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -109.81 143.02 40.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.86 HD12 ' HB3' ' A' ' 76' ' ' LEU . 35.2 mt -76.69 115.32 16.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.831 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.73 121.66 2.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.551 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.718 HD13 ' ND2' ' A' ' 120' ' ' ASN . 2.5 pp -70.28 121.54 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.34 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.64 174.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.8 -39.85 63.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.5 -29.49 67.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 115.8 30.81 2.07 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.55 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 133' ' ' GLU . 5.4 tp -116.77 129.65 56.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.33 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.421 HG22 HG22 ' A' ' 86' ' ' ILE . 22.2 t -75.73 115.86 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.3 m -135.6 -179.93 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.52 99.01 0.18 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.559 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -149.7 49.12 0.94 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 m -145.44 143.78 30.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.976 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.59 31.4 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -144.47 161.4 39.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.8 mt -94.99 96.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -93.63 163.45 26.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.449 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.5 -41.12 69.85 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.59 2.193 . . . . 0.0 112.26 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.0 mtt-85 -67.45 -29.69 69.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.001 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.47 -27.75 64.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -58.67 135.64 57.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.567 ' CD1' HD12 ' A' ' 76' ' ' LEU . 86.0 m95 -120.77 136.92 54.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -110.19 93.22 14.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.043 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.0 165.09 32.42 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.446 2.097 . . . . 0.0 112.201 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -150.1 151.72 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.226 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -129.96 119.17 22.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -138.22 115.82 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 59.33 29.81 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.08 -35.73 4.21 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.547 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -69.51 -179.99 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.745 0.307 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.2 ptp -163.79 156.79 18.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -151.43 120.5 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.066 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.627 ' HB2' HD11 ' A' ' 145' ' ' ILE . 0.6 OUTLIER -68.85 122.8 19.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.9 tp -105.9 123.24 47.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.47 165.24 6.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.039 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.6 t -69.68 -13.05 62.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.371 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.718 ' ND2' HD13 ' A' ' 86' ' ' ILE . 40.7 p30 -96.25 26.43 4.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.758 0.313 . . . . 0.0 111.186 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.5 m 55.97 47.2 20.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.03 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.512 ' HB2' ' HB1' ' A' ' 134' ' ' ALA . 74.7 m -147.63 123.44 10.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -66.17 152.63 44.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.716 HD11 HD13 ' A' ' 145' ' ' ILE . 39.6 pt -80.17 158.42 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -173.64 143.57 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.55 ' SG ' HD13 ' A' ' 47' ' ' LEU . 30.4 p -103.66 153.1 21.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -95.6 161.99 13.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -31.28 66.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.931 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.51 -49.97 13.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 144.08 62.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -154.63 107.16 2.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.6 mt -87.12 113.38 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.503 ' HB3' HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -128.2 167.39 16.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 122' ' ' CYS . . . -77.98 101.44 6.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.05 173.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.97 168.79 1.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -61.76 -31.31 71.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 20.5 p -67.63 115.97 7.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -95.87 108.94 21.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.57 176.99 44.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -60.41 -50.34 73.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -67.45 -29.28 68.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.041 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -30.22 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.9 mmt -59.99 116.14 3.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.768 HG22 ' HA ' ' A' ' 31' ' ' MET . 45.5 pt -98.93 172.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.186 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -129.88 108.39 10.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.479 ' O ' HG22 ' A' ' 17' ' ' VAL . 25.3 mt -84.61 121.74 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 10.4 mtt-85 -102.04 175.52 5.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 44.7 t -152.61 150.29 29.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . 0.41 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 28.5 p -126.32 34.95 4.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.842 0.353 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.513 HD12 ' HB3' ' A' ' 15' ' ' TRP . 10.1 tt -99.91 128.4 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.088 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -121.93 97.97 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.53 -90.18 0.94 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.388 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.426 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.2 pt -132.51 31.19 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 111.066 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.426 ' CD1' HG13 ' A' ' 13' ' ' ILE . 64.9 m95 -138.56 121.3 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.513 ' HB3' HD12 ' A' ' 10' ' ' ILE . 48.7 p-90 -117.66 139.06 51.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.458 HG21 ' HE2' ' A' ' 146' ' ' LYS . 0.3 OUTLIER -70.67 128.02 34.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 m -65.39 164.16 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.4 t -104.23 -38.59 6.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -149.56 179.28 8.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 72' ' ' SER . 81.0 t80 -58.16 -43.2 87.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.051 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.54 -24.52 39.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.632 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -81.43 -29.87 33.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.4 mt -68.92 102.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 m -160.84 116.75 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.66 -155.36 17.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 m -69.14 125.55 27.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.344 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.3 pt -140.76 159.15 24.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.0 151.18 49.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.472 HD11 ' CD1' ' A' ' 76' ' ' LEU . 4.6 mt -112.71 141.96 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -133.35 105.0 6.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.9 mtp -75.58 -60.73 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.666 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 0.9 OUTLIER -90.95 163.4 14.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -73.61 82.44 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.5 -29.6 5.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . . . -89.5 153.96 20.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -136.66 160.48 38.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.9 mt -73.53 107.78 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -87.46 154.79 20.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.419 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -110.38 155.57 21.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 39' ' ' ALA . 76.9 mt -130.6 131.81 45.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -60.03 -30.25 69.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -57.87 -28.36 64.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.38 32.94 1.4 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 mt -141.69 166.79 23.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CE2' HD21 ' A' ' 84' ' ' LEU . 14.7 m-85 -129.54 123.04 30.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.481 ' C ' HD11 ' A' ' 132' ' ' ILE . 2.9 t -116.22 171.7 7.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.792 HD13 ' SG ' ' A' ' 126' ' ' CYS . 17.0 tp -89.22 111.25 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.82 137.63 39.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.5 150.56 73.58 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.707 0.289 . . . . 0.0 111.087 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.06 137.25 40.37 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.613 2.209 . . . . 0.0 112.311 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -60.4 163.77 4.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -78.57 -34.44 46.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -91.28 161.8 14.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.78 -65.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -79.8 88.81 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.34 161.13 38.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -108.01 168.51 13.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.91 170.5 15.41 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.583 2.189 . . . . 0.0 112.359 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.38 168.32 11.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.541 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 50.9 Cg_exo -52.32 -48.64 20.76 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.602 2.202 . . . . 0.0 112.693 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 57.0 Cg_endo -70.88 -19.6 30.57 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.25 1.966 . . . . 0.0 112.435 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -86.1 -29.56 23.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.006 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -58.76 145.68 39.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.421 ' CE1' HD11 ' A' ' 84' ' ' LEU . 56.4 m-85 -133.18 159.91 38.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.1 m -120.98 130.49 53.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.43 142.69 27.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -137.83 114.02 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.19 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -67.26 135.04 52.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.498 HD11 ' HB2' ' A' ' 75' ' ' ALA . 10.8 mt -122.9 -72.21 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.81 154.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 t0 55.58 42.57 29.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 0.7 OUTLIER 59.98 29.88 19.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -105.18 120.9 42.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.9 pt -120.12 143.16 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.498 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -108.1 120.98 43.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.06 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.472 ' CD1' HD11 ' A' ' 29' ' ' ILE . 74.6 mt -75.03 173.09 11.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -154.57 117.52 4.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.9 p -62.97 146.59 52.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.34 -28.09 61.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.572 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -63.99 -39.03 93.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.325 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.47 43.26 0.25 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.521 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -139.75 176.51 8.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -111.02 131.93 54.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.565 HD21 ' CE2' ' A' ' 45' ' ' PHE . 82.3 mt -75.72 111.72 11.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.49 127.0 3.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.542 HD13 ' ND2' ' A' ' 120' ' ' ASN . 2.5 pp -63.65 162.46 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -101.31 172.42 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.1 p -62.52 -33.35 74.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.43 -45.54 53.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 128.57 42.34 0.25 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.551 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.8 tp -122.13 121.47 36.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.93 101.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.6 m -116.16 176.19 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.68 97.32 0.18 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.541 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.73 86.02 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -177.03 111.5 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -62.89 -31.64 72.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.83 176.14 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.9 mt -107.37 86.81 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -77.6 166.84 53.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.68 -42.4 62.8 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.551 2.167 . . . . 0.0 112.342 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -64.39 -31.25 72.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 26.7 mp0 -70.11 -28.66 65.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -62.88 146.31 53.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.005 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 83.0 m95 -130.14 -179.92 5.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -155.45 90.65 2.88 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.34 155.55 9.37 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.568 2.179 . . . . 0.0 112.206 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.5 t -141.15 157.03 22.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.445 ' N ' HG12 ' A' ' 108' ' ' VAL . 95.8 m-85 -143.91 116.79 8.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -129.14 105.39 8.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 59.69 39.66 20.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.27 -40.91 2.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.435 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -61.59 -180.0 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.742 0.306 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 2.9 ptp -158.89 141.97 14.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -140.45 121.51 14.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.068 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.48 119.01 19.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.7 tp -100.93 131.26 46.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.513 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -73.22 168.01 20.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.6 t -64.38 -15.38 60.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.189 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.542 ' ND2' HD13 ' A' ' 86' ' ' ILE . 41.7 p30 -95.24 23.88 5.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.207 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.9 43.36 30.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.174 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.416 ' HB3' ' HB1' ' A' ' 134' ' ' ALA . 1.6 m -145.11 121.92 11.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.656 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 65.7 m-85 -59.48 173.05 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 24.3 pt -107.9 145.27 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.227 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 34.7 ttt-85 -160.41 131.46 5.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.792 ' SG ' HD13 ' A' ' 47' ' ' LEU . 22.3 p -87.2 161.49 18.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.962 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -109.37 152.58 25.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.69 -29.97 67.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.5 -36.75 76.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 138.06 -21.44 3.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.594 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.47 149.78 45.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 0.0 110.941 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.481 HD11 ' C ' ' A' ' 46' ' ' THR . 30.9 mt -128.67 108.47 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.038 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.39 171.16 8.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.416 ' HB1' ' HB3' ' A' ' 122' ' ' CYS . . . -88.2 131.73 34.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.47 170.65 15.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.95 -179.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -60.29 -31.43 70.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.1 p -69.5 130.51 42.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.656 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -108.54 107.19 17.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.64 174.74 47.86 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.69 -32.66 74.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.69 -30.88 20.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.978 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -26.75 64.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.3 mmt -57.1 163.05 2.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.899 0.38 . . . . 0.0 110.966 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 2.4 pt -133.38 179.52 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.458 ' HE2' HG21 ' A' ' 16' ' ' THR . 7.4 mtpt -136.89 100.72 4.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 21.4 mt -84.17 113.56 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -107.35 142.98 36.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.7 t -117.66 146.36 43.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . 0.407 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 29.1 p -107.97 33.33 4.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.772 0.32 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 10' ' ' ILE . 2.5 tt -128.47 124.01 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.6 t -122.34 104.73 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.046 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.27 -77.6 0.12 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 pt -145.85 30.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -132.42 123.17 26.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -124.18 140.79 52.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 m -74.38 141.9 45.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.454 HG21 HG12 ' A' ' 23' ' ' ILE . 31.5 m -82.17 173.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.84 -44.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -128.18 166.99 17.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.656 ' HA ' HD12 ' A' ' 23' ' ' ILE . 78.9 t80 -61.58 -35.56 78.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.75 -26.06 53.01 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -89.1 -28.4 20.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.731 0.301 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 20' ' ' PHE . 54.0 mt -65.42 106.68 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.048 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.0 t -172.48 144.67 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.7 -148.41 19.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -86.33 114.43 23.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.584 HD12 HG23 ' A' ' 147' ' ' ILE . 5.4 pt -129.01 139.53 51.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.32 154.62 18.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.3 mp -128.34 130.45 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 16.3 tt0 -115.96 115.93 27.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.412 ' HE1' HG23 ' A' ' 132' ' ' ILE . 19.1 mtt -84.59 -60.86 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.47 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 2.2 m-20 -88.02 175.91 7.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.04 80.98 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.82 -32.22 6.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.543 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . . . -85.4 134.25 34.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.848 0.356 . . . . 0.0 111.074 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.414 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 50.3 m-85 -111.6 177.02 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.6 mt -79.96 121.38 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -105.67 133.54 50.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.408 ' HA ' ' CD2' ' A' ' 45' ' ' PHE . . . -85.14 135.37 34.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.9 mt -100.18 179.28 4.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -105.54 -10.18 17.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.41 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -97.0 30.03 2.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.758 0.313 . . . . 0.0 111.039 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.7 34.07 87.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.568 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.648 HD23 HG12 ' A' ' 93' ' ' VAL . 34.6 mt -134.3 179.8 6.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.728 0.299 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.408 ' CD2' ' HA ' ' A' ' 39' ' ' ALA . 31.0 m-85 -147.04 111.0 5.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t -104.16 174.23 5.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.7 tp -80.46 111.53 16.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.7 150.91 41.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.442 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.92 137.62 90.62 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.634 0.254 . . . . 0.0 111.026 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.83 128.37 14.96 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.506 2.137 . . . . 0.0 112.249 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -60.46 169.97 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 ptt85 -103.0 -41.19 6.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -79.72 130.84 35.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.96 -41.66 86.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.74 73.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.958 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.37 156.01 42.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -96.88 157.43 21.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.89 152.38 73.64 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.617 2.211 . . . . 0.0 112.302 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.4 ' HB3' ' HD2' ' A' ' 60' ' ' PRO . 1.2 m -68.06 168.81 11.74 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.508 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 48.8 Cg_exo -54.92 -47.84 24.44 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.612 2.208 . . . . 0.0 112.622 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 73.7 Cg_endo -75.87 -26.86 9.16 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.195 1.93 . . . . 0.0 112.337 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -69.1 -31.6 70.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -72.47 123.52 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.505 ' HB3' HD22 ' A' ' 76' ' ' LEU . 88.7 m-85 -112.31 149.0 33.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.36 120.23 41.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.06 145.57 25.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.036 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.03 107.82 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' HE3' ' CE2' ' A' ' 20' ' ' PHE . 25.1 mtpt -59.87 146.3 42.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 75' ' ' ALA . 22.1 mt -129.73 -68.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.3 m -178.89 154.94 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 t0 59.81 37.08 22.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 10.9 m 60.3 51.88 5.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.4 mmm-85 -128.61 137.01 51.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.1 pt -123.25 151.45 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.431 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -110.32 103.71 12.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 64' ' ' PHE . 14.3 mt -70.12 152.39 44.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -138.41 120.25 15.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.3 p -61.16 152.31 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.39 -28.89 67.94 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -63.02 -31.26 72.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.87 36.51 0.96 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.584 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -131.61 161.75 31.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -95.38 124.9 39.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.484 HD12 ' HB3' ' A' ' 76' ' ' LEU . 14.4 mt -59.58 114.97 2.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -124.61 157.05 18.84 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.759 HD13 ' HB1' ' A' ' 118' ' ' ALA . 21.4 pt -109.92 136.55 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 111.159 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -74.46 164.4 26.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -69.11 -31.23 69.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.76 -31.47 68.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 118.28 38.62 0.79 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.541 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.476 HD12 ' HB3' ' A' ' 133' ' ' GLU . 4.8 tp -128.49 120.2 26.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.0 t -62.98 117.24 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.054 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.648 HG12 HD23 ' A' ' 44' ' ' LEU . 10.8 m -142.6 131.59 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -101.91 104.96 2.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.527 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -172.64 63.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.942 0.401 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.5 t -123.27 -39.54 2.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.042 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 66.35 31.62 8.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.72 142.51 0.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.4 mt -68.0 96.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.077 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -103.85 169.96 18.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.07 -51.78 9.43 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.574 2.182 . . . . 0.0 112.323 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.0 mtt85 -61.39 -33.72 74.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -62.6 -27.84 69.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -60.96 143.47 55.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.451 ' HB3' HD11 ' A' ' 116' ' ' LEU . 88.4 m95 -125.92 159.36 32.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.77 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -135.87 97.47 12.47 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.019 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.86 143.88 51.71 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.473 2.115 . . . . 0.0 112.215 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.5 148.59 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.202 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.432 ' CZ ' HD11 ' A' ' 23' ' ' ILE . 36.4 m-85 -125.02 128.96 49.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.79 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.95 122.89 15.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 59.41 30.63 20.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.83 -36.86 3.63 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -61.37 -179.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.426 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 10.1 ptp -151.04 145.74 25.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.49 157.88 43.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.451 HD11 ' HB3' ' A' ' 105' ' ' TRP . 20.6 tp -111.08 100.47 9.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.981 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.8 tp -79.13 131.38 36.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.759 ' HB1' HD13 ' A' ' 86' ' ' ILE . . . -76.01 169.72 17.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.5 t -71.7 -9.48 58.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -95.75 24.75 5.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.645 0.259 . . . . 0.0 111.198 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.7 p 54.36 32.53 16.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.812 0.339 . . . . 0.0 111.112 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.774 ' HB3' ' HB1' ' A' ' 134' ' ' ALA . 95.3 m -133.66 139.66 46.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.418 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 23.2 m-85 -77.49 151.05 34.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.2 pt -89.18 158.25 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.503 ' O ' HG23 ' A' ' 132' ' ' ILE . 9.8 ptm180 -177.17 158.86 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 14.8 p -102.94 179.05 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -130.22 152.19 49.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.31 -31.62 70.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.815 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.85 -31.24 66.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.073 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 117.28 50.19 0.39 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -145.37 137.44 25.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.503 HG23 ' O ' ' A' ' 125' ' ' ARG . 31.8 mt -108.74 122.16 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.476 ' HB3' HD12 ' A' ' 91' ' ' LEU . 0.8 OUTLIER -142.32 170.92 14.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.774 ' HB1' ' HB3' ' A' ' 122' ' ' CYS . . . -74.41 176.92 6.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.8 167.84 27.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -57.09 165.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -58.96 -30.58 68.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.2 p -62.75 101.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.418 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -86.45 118.49 25.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -88.18 179.67 46.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.554 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -68.26 -31.15 70.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.784 0.326 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -80.43 -36.07 34.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -30.43 69.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 23.8 mmt -59.07 134.43 56.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 3.9 pt -109.28 178.0 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -129.31 98.41 4.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.584 HG23 HD12 ' A' ' 27' ' ' ILE . 22.8 mt -80.52 105.37 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -98.08 138.84 34.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.7 t -112.45 149.42 32.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 26.4 p -131.1 35.99 3.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.109 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.801 0.334 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.503 ' O ' HG23 ' A' ' 10' ' ' ILE . 8.7 tt -79.3 118.79 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.057 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.3 106.76 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.89 -83.59 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.406 HG13 ' CD1' ' A' ' 14' ' ' TRP . 0.9 OUTLIER -141.09 31.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 111.053 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.412 ' CE2' ' HD2' ' A' ' 58' ' ' PRO . 49.0 m95 -136.9 117.38 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.2 p-90 -103.2 128.65 50.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.5 m -60.25 137.07 58.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.421 HG11 HG12 ' A' ' 23' ' ' ILE . 13.0 m -76.57 167.94 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.229 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.2 m -119.02 -41.03 2.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.952 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -134.49 175.01 9.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.768 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 60.3 t80 -58.97 -44.53 91.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.04 -26.79 49.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.681 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -70.37 -38.83 74.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.515 HG23 HG21 ' A' ' 27' ' ' ILE . 39.9 mt -73.36 116.73 16.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.46 115.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.98 -156.34 19.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 m -60.57 114.47 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.515 HG21 HG23 ' A' ' 23' ' ' ILE . 2.6 pt -127.43 166.34 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.5 137.64 48.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.081 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.446 HG23 HD12 ' A' ' 145' ' ' ILE . 23.2 mt -108.3 143.82 17.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -131.4 115.53 16.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.636 ' HA ' HG22 ' A' ' 145' ' ' ILE . 5.5 mtt -93.12 -45.5 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.487 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 2.5 t70 -107.13 171.06 7.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -78.74 85.78 4.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.25 -30.68 6.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.529 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.487 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . . . -87.11 145.13 26.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -124.83 169.06 12.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.41 HD12 ' HB ' ' A' ' 29' ' ' ILE . 30.1 mt -74.77 113.84 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.17 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -102.1 147.49 26.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.593 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -115.92 140.39 49.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.556 HD13 HD21 ' A' ' 42' ' ' ASN . 40.6 mt -98.12 156.15 16.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -65.94 -31.81 72.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.556 HD21 HD13 ' A' ' 40' ' ' LEU . 11.2 p30 -66.87 -31.2 71.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.13 -25.47 4.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.591 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.8 mt -71.4 170.32 13.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.68 ' HB3' HD12 ' A' ' 132' ' ' ILE . 20.6 m-85 -134.04 146.56 50.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -145.03 152.85 40.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.581 HD13 ' SG ' ' A' ' 126' ' ' CYS . 37.7 tp -64.08 108.84 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.32 174.04 5.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.66 150.38 40.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.734 0.302 . . . . 0.0 111.08 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.9 158.05 58.08 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.471 2.114 . . . . 0.0 112.298 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -90.07 160.06 16.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -62.64 1.5 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -68.48 161.46 27.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.4 p -86.27 -31.7 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -109.77 86.58 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -148.11 139.08 23.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.87 160.29 51.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.422 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.412 ' HD2' ' CE2' ' A' ' 14' ' ' TRP . 54.7 Cg_endo -69.84 177.68 5.39 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.514 2.142 . . . . 0.0 112.298 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.411 ' HB3' ' HD2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -95.18 171.15 6.88 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.557 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 64.3 Cg_exo -50.21 -50.3 13.85 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.567 2.178 . . . . 0.0 112.77 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 37.5 Cg_endo -65.93 -24.88 52.82 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.124 1.883 . . . . 0.0 112.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.405 ' O ' ' CE1' ' A' ' 64' ' ' PHE . 3.8 mt-10 -81.21 -30.91 34.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -76.17 122.94 25.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.471 ' CD2' HD11 ' A' ' 84' ' ' LEU . 82.6 m-85 -109.85 161.93 14.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.1 m -111.26 118.4 35.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.452 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -90.68 135.86 33.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.2 t -128.16 123.16 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.18 144.19 50.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.4 mt -132.76 -73.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.99 157.46 0.69 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.787 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 59.09 31.56 21.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.2 33.59 16.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.5 103.18 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.768 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 19.4 pt -95.61 153.94 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -108.51 126.89 53.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.016 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.697 ' HB3' HD12 ' A' ' 84' ' ' LEU . 13.9 mt -89.52 164.79 14.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.964 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.3 tttm -157.26 124.83 5.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.427 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -67.71 147.5 52.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.76 -28.31 65.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -60.43 -38.01 82.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.339 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.61 46.48 0.21 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -149.12 149.54 31.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -88.75 139.12 30.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.697 HD12 ' HB3' ' A' ' 76' ' ' LEU . 55.7 mt -78.01 111.9 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -134.05 127.17 4.47 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.7 pp -69.8 151.27 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 111.109 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -87.11 166.58 14.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 63.7 p -61.42 -32.34 72.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.3 -30.99 65.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 117.92 35.06 1.08 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 tp -114.4 142.76 45.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.9 121.16 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.4 m -139.35 179.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.143 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -155.06 85.67 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.56 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -156.26 31.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.839 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.7 -38.83 6.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.75 31.71 20.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.63 143.16 29.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 26.1 mt -83.91 77.46 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -99.57 173.64 26.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.538 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.412 ' HA ' ' HG3' ' A' ' 104' ' ' GLN . 53.9 Cg_exo -52.03 -36.7 66.19 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.639 2.226 . . . . 0.0 112.285 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -71.63 -36.02 70.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.408 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 9.6 mp0 -70.82 -24.15 62.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.212 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.412 ' HG3' ' HA ' ' A' ' 101' ' ' PRO . 10.7 mt-30 -57.35 150.2 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 0.0 111.097 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.696 ' CD1' HD12 ' A' ' 76' ' ' LEU . 98.5 m95 -138.53 135.27 34.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.79 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -124.65 95.34 42.91 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.969 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.29 144.95 58.29 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.478 2.118 . . . . 0.0 112.304 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.74 131.64 64.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.232 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -110.61 120.91 43.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -150.02 134.26 17.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 59.25 47.59 11.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 57.61 25.74 55.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.607 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -127.07 177.01 6.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.351 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -152.92 129.02 10.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.68 124.24 22.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.066 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.675 HD21 HD11 ' A' ' 76' ' ' LEU . 4.8 tp -68.01 131.16 44.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.5 tp -102.85 128.13 49.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.975 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.538 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -78.34 163.42 25.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.7 t -58.23 -20.9 45.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.538 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 34.4 p-10 -96.36 24.2 6.01 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.37 41.48 31.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.871 0.367 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 14.4 m -132.04 117.64 18.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.414 ' CD2' ' HB2' ' A' ' 139' ' ' ALA . 62.8 m-85 -60.23 139.79 57.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.55 HD11 HD13 ' A' ' 145' ' ' ILE . 23.6 pt -71.66 159.59 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.0 ttt-85 -172.34 155.99 3.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.581 ' SG ' HD13 ' A' ' 47' ' ' LEU . 8.2 p -108.41 128.44 54.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -73.83 173.55 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -84.89 -31.68 23.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.21 -43.92 60.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 136.59 46.11 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -136.92 99.57 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.68 HD12 ' HB3' ' A' ' 45' ' ' PHE . 28.8 mt -73.51 99.29 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -121.09 172.34 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -91.99 114.12 26.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.052 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.56 171.51 7.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -60.28 179.44 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -60.54 -30.61 69.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.99 116.72 6.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.414 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . . . -100.65 103.64 14.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.08 179.97 37.98 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.63 -32.42 73.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -86.28 -29.05 23.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -30.27 65.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 24.4 mmt -59.46 154.32 17.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.636 HG22 ' HA ' ' A' ' 31' ' ' MET . 18.4 pt -130.0 157.61 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -112.34 87.16 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 4.8 mt -75.18 130.35 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 33.9 mtt-85 -124.76 175.47 7.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.3 t -144.98 156.74 44.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 9.8 p -120.9 31.57 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.942 0.401 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -102.0 113.07 37.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.098 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.513 HG13 ' HA ' ' A' ' 55' ' ' ASP . 21.4 t -115.58 94.12 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.78 -76.08 0.22 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.428 HG13 ' CD1' ' A' ' 14' ' ' TRP . 4.0 pt -140.54 31.25 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.428 ' CD1' HG13 ' A' ' 13' ' ' ILE . 80.2 m95 -136.01 114.51 11.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.565 ' HB3' HD12 ' A' ' 10' ' ' ILE . 53.3 p-90 -114.26 133.87 55.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.9 m -65.98 144.35 56.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.613 HG21 HG12 ' A' ' 23' ' ' ILE . 14.0 m -90.52 158.17 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.099 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -113.71 -36.74 4.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -131.67 173.96 10.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.964 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.689 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 69.2 t80 -59.57 -45.2 92.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.024 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.64 -26.32 45.76 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.691 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.415 ' HB3' HG12 ' A' ' 17' ' ' VAL . 3.9 mt-10 -73.33 -31.51 64.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.784 0.326 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.613 HG12 HG21 ' A' ' 17' ' ' VAL . 34.7 mt -75.37 122.34 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.144 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.2 t -177.01 153.22 0.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.33 -164.28 41.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.475 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.95 122.99 15.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.5 pp -135.76 155.62 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.17 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.41 135.88 54.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.585 ' HB ' HD12 ' A' ' 37' ' ' ILE . 32.5 mt -105.62 140.47 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -125.2 111.79 15.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.485 ' HE2' HD12 ' A' ' 124' ' ' ILE . 32.3 mtt -89.96 -39.73 12.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.491 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 2.4 m-20 -106.29 169.22 8.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -77.72 84.67 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.16 -37.73 3.31 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.45 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . . . -80.97 163.84 23.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.909 0.385 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -139.47 168.49 19.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.585 HD12 ' HB ' ' A' ' 29' ' ' ILE . 15.7 mt -72.99 105.84 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -92.24 112.41 24.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.23 175.89 6.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 mt -140.72 154.84 46.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.958 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -73.57 -36.59 65.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.958 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -58.46 -27.05 64.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.27 24.66 4.07 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.2 mt -121.43 -179.96 4.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.792 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.538 ' CZ ' HD21 ' A' ' 84' ' ' LEU . 33.9 m-85 -141.71 126.87 18.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.052 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 t -124.67 159.11 31.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.79 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.604 HD22 ' SG ' ' A' ' 126' ' ' CYS . 14.4 tp -78.55 104.49 9.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.16 174.12 7.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.405 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.72 148.85 49.79 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.698 0.285 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.66 165.32 32.38 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.557 2.171 . . . . 0.0 112.348 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -94.21 160.67 14.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.38 -41.85 10.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.53 151.13 27.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.35 -64.21 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.513 ' HA ' HG13 ' A' ' 11' ' ' VAL . 0.4 OUTLIER -80.38 79.59 6.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -133.59 158.32 43.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -102.51 151.52 18.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.432 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.65 158.31 53.79 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.526 2.151 . . . . 0.0 112.389 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.421 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . 51.1 m -80.02 164.04 54.76 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.761 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.498 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 50.5 Cg_exo -54.02 -45.08 43.69 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.505 2.136 . . . . 0.0 112.794 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 60' ' ' PRO . 38.3 Cg_exo -59.73 -34.92 95.92 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.527 2.152 . . . . 0.0 112.022 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 34.0 mt-10 -82.92 -30.51 28.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -69.98 117.66 11.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.434 ' CE2' HD11 ' A' ' 84' ' ' LEU . 85.3 m-85 -101.84 174.05 6.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.47 118.37 24.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.38 158.97 21.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 75' ' ' ALA . 21.5 t -152.34 108.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.01 110.68 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.731 HD21 HD13 ' A' ' 99' ' ' ILE . 89.1 mt -92.28 -79.41 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 m 179.93 155.42 0.59 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t0 59.02 42.11 19.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.73 40.25 13.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -122.12 129.62 52.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.689 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 15.1 pt -120.41 145.07 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.553 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -102.71 124.57 48.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.622 HD11 HD21 ' A' ' 116' ' ' LEU . 21.6 mt -89.21 152.28 21.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -144.76 119.19 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 p -60.23 159.9 9.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.1 -32.44 84.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.557 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -61.31 -39.12 89.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 125.11 41.26 0.37 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -136.87 136.6 38.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -76.25 135.2 39.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.538 HD21 ' CZ ' ' A' ' 45' ' ' PHE . 20.7 mt -68.54 116.12 8.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -130.83 119.17 2.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.7 pt -74.17 149.79 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 111.072 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -91.97 168.2 11.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.1 p -73.28 -32.24 64.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.13 -40.89 91.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 127.39 63.34 0.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.525 HD12 ' HB3' ' A' ' 133' ' ' GLU . 1.2 tp -152.92 150.0 28.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.9 t -98.13 104.11 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.048 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.454 HG21 ' NH1' ' A' ' 95' ' ' ARG . 27.2 m -125.23 157.21 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -120.75 104.22 0.96 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.454 ' NH1' HG21 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -169.54 91.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.785 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.7 t -169.74 -42.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.24 33.6 14.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.72 143.77 17.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.083 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.731 HD13 HD21 ' A' ' 69' ' ' LEU . 32.9 mt -77.2 80.21 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -90.2 177.16 42.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.84 -61.17 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.533 2.155 . . . . 0.0 112.412 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -57.76 -31.02 66.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.407 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 1.9 mp0 -64.06 -28.3 69.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -58.64 152.77 17.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.052 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.416 ' CE2' HD12 ' A' ' 76' ' ' LEU . 98.8 m95 -137.02 145.62 44.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -132.09 90.03 36.22 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.1 154.4 70.43 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.521 2.147 . . . . 0.0 112.266 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.3 t -140.24 158.77 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.181 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.476 ' N ' HG12 ' A' ' 108' ' ' VAL . 18.5 m-85 -130.9 129.0 41.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -142.68 128.99 19.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 59.03 26.83 15.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.78 -31.29 7.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.582 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -70.8 178.05 3.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.33 . . . . 0.0 110.954 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.486 ' HG3' HD12 ' A' ' 147' ' ' ILE . 4.0 ptp -147.41 142.55 27.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -137.26 143.58 42.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.622 HD21 HD11 ' A' ' 76' ' ' LEU . 45.1 tp -96.34 90.33 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.7 tp -71.27 131.23 43.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.456 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -76.45 169.43 18.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.8 t -65.67 -14.17 60.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.456 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 47.9 p30 -93.69 20.81 7.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.301 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.88 53.51 8.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.876 0.369 . . . . 0.0 111.04 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.3 m -156.69 136.47 12.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.833 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 49.5 m-85 -67.15 168.19 10.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.498 HD11 HD13 ' A' ' 145' ' ' ILE . 21.1 pt -93.19 159.79 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.24 161.35 19.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.604 ' SG ' HD22 ' A' ' 47' ' ' LEU . 25.0 p -111.96 173.24 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.977 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -127.77 160.77 30.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.48 -37.79 83.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.29 -34.92 73.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.12 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 121.5 38.79 0.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -123.53 101.71 7.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.9 mm -70.02 110.83 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.525 ' HB3' HD12 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -119.82 179.65 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -106.26 122.8 46.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.8 169.66 17.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.817 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.33 177.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -62.81 -31.6 72.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.2 p -58.69 132.33 53.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.833 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -112.96 155.31 25.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.047 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -143.97 173.47 24.75 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.23 -31.67 69.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.367 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -85.88 -31.17 22.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -30.64 69.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.443 ' CE ' ' HB1' ' A' ' 139' ' ' ALA . 23.3 mmt -59.16 139.77 56.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.498 HD13 HD11 ' A' ' 124' ' ' ILE . 3.3 pt -118.15 176.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -129.69 100.1 5.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.486 HD12 ' HG3' ' A' ' 114' ' ' MET . 2.4 mp -81.46 104.61 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.84 149.68 24.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 38.3 t -135.82 133.04 37.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 30.2 p -107.12 31.85 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 -179.941 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.768 0.318 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.573 ' O ' HG23 ' A' ' 10' ' ' ILE . 12.6 tt -119.31 113.34 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.653 HG13 ' HA ' ' A' ' 55' ' ' ASP . 21.5 t -99.59 89.85 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.46 -78.33 0.34 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.42 HG13 ' CD1' ' A' ' 14' ' ' TRP . 0.9 OUTLIER -139.35 32.62 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.845 0.355 . . . . 0.0 111.083 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.42 ' CD1' HG13 ' A' ' 13' ' ' ILE . 52.9 m95 -141.76 118.62 11.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 50.8 p-90 -114.83 134.17 55.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.2 m -67.51 125.21 25.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.7 m -70.83 173.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.167 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.33 -48.93 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -112.09 178.1 4.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.661 ' HA ' HD12 ' A' ' 23' ' ' ILE . 69.8 t80 -74.37 -34.24 63.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.994 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.33 -27.6 60.76 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.565 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.79 -29.76 62.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.979 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.714 HG21 HD13 ' A' ' 74' ' ' ILE . 20.1 mt -68.54 105.47 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.25 104.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.819 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.48 -158.67 14.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.439 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.5 m -67.04 132.09 47.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.3 pt -139.2 173.3 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.47 126.16 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.9 mt -105.46 123.41 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.1 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -107.27 111.64 24.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.988 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.446 ' HG3' HD11 ' A' ' 37' ' ' ILE . 4.2 mtt -86.07 -48.32 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.864 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 15.9 t70 -102.39 161.8 13.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -71.16 79.99 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.26 -31.21 5.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.53 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.864 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . . . -86.11 163.42 17.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.766 0.317 . . . . 0.0 111.085 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -136.9 151.98 49.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.446 HD11 ' HG3' ' A' ' 31' ' ' MET . 4.0 mt -66.31 116.43 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -100.04 162.74 12.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.741 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -126.87 141.1 51.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 44' ' ' LEU . 17.9 mt -97.42 154.29 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.94 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -65.8 -31.51 72.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -67.97 -35.52 78.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.17 -26.59 2.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.542 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' HB2' HD12 ' A' ' 40' ' ' LEU . 11.5 mt -67.18 173.17 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.741 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 21.2 m-85 -138.64 134.08 33.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.7 t -126.17 179.89 5.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.554 HD13 ' CB ' ' A' ' 126' ' ' CYS . 8.3 tp -94.21 108.58 20.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.67 163.98 12.98 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.554 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.03 148.68 84.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.681 0.277 . . . . 0.0 111.118 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.74 146.49 54.29 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.624 2.216 . . . . 0.0 112.315 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -75.18 142.11 43.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 -70.03 -37.19 75.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.92 146.83 27.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.01 -49.94 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.653 ' HA ' HG13 ' A' ' 11' ' ' VAL . 77.2 m-20 -110.06 79.09 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -125.74 132.63 52.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.85 150.29 51.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.05 162.09 43.14 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.609 2.206 . . . . 0.0 112.282 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.8 m -75.6 162.05 73.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.803 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.561 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 54.4 Cg_exo -51.29 -48.17 22.45 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.504 2.136 . . . . 0.0 112.618 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 56.3 Cg_endo -70.55 -25.28 25.12 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.136 1.891 . . . . 0.0 112.285 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -78.61 -31.35 47.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.82 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -67.58 134.78 51.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.536 ' CE1' HD11 ' A' ' 84' ' ' LEU . 97.6 m-85 -114.61 158.03 22.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.85 134.92 52.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.15 133.7 49.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.068 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.04 132.12 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.412 ' O ' HD23 ' A' ' 69' ' ' LEU . 2.0 mtpm? -76.16 144.88 40.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.849 HD11 ' HB2' ' A' ' 75' ' ' ALA . 12.5 mt -133.34 -72.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.0 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.3 p 179.82 157.21 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 54.82 36.33 26.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 1.0 OUTLIER 61.23 29.66 18.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -105.91 104.18 13.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.731 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.714 HD13 HG21 ' A' ' 23' ' ' ILE . 35.4 pt -95.2 140.28 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.282 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.849 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -93.94 134.48 36.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.053 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.742 ' HB3' HD12 ' A' ' 84' ' ' LEU . 26.4 mt -96.41 146.26 24.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -132.07 125.32 31.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.797 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.2 p -63.91 158.07 23.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.47 -27.13 57.96 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -72.6 -31.82 65.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.24 -18.62 5.24 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.623 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -70.98 169.62 14.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.83 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -107.07 133.69 51.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.742 HD12 ' HB3' ' A' ' 76' ' ' LEU . 80.7 mt -69.49 130.91 43.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.89 128.23 2.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.5 pt -67.21 166.12 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.903 0.382 . . . . 0.0 111.106 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -111.88 176.51 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.5 p -65.01 -31.34 72.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.69 -34.04 66.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 128.8 -24.4 4.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.592 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tp -56.93 155.88 7.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 111.048 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.72 95.87 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 24.2 m -104.74 168.71 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -136.98 95.92 0.24 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -167.46 107.76 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.75 -39.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.978 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.06 30.57 13.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.811 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.06 -168.8 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.3 mt -122.87 89.82 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.73 -160.04 27.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.54 -45.74 1.09 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.584 2.189 . . . . 0.0 112.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -33.11 75.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.406 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 0.7 OUTLIER -66.03 -19.63 65.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.211 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -71.49 125.52 27.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.848 0.356 . . . . 0.0 111.006 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 93.1 m95 -124.4 141.36 52.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.789 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -119.9 97.82 49.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.952 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.23 153.85 70.74 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.397 2.065 . . . . 0.0 112.242 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.491 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.2 t -140.83 159.41 23.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.293 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.491 ' N ' HG12 ' A' ' 108' ' ' VAL . 51.0 m-85 -133.48 141.34 47.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.77 101.76 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 57.23 47.62 16.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.0 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.91 -45.21 2.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.4 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -60.5 179.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.8 ptp -161.11 153.23 19.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -144.41 163.46 33.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.629 HD21 HD11 ' A' ' 76' ' ' LEU . 10.1 tp -115.91 123.53 48.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.7 tp -105.85 123.26 47.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.808 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.533 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -65.34 165.37 11.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.26 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.51 -16.04 61.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.236 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.533 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 40.9 p30 -94.02 21.33 6.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.271 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.75 52.55 10.69 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.834 0.35 . . . . 0.0 111.083 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.3 m -147.85 125.52 11.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.425 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 45.1 m-85 -63.85 129.45 40.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 37.7 pt -68.17 160.91 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.253 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.81 173.38 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.554 ' CB ' HD13 ' A' ' 47' ' ' LEU . 25.9 p -122.74 157.0 33.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -101.05 173.37 6.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -71.15 -47.85 55.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.85 -31.21 69.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 119.08 51.42 0.29 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.451 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.77 127.08 33.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.322 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 28.0 mm -90.09 108.47 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.34 168.28 11.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -91.42 100.16 12.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -61.23 167.0 3.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.62 -180.0 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -70.04 -29.42 66.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 11.6 p -56.96 127.77 33.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.015 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.425 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -109.37 97.85 7.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -84.73 179.97 51.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -59.53 -49.62 77.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -66.2 -30.5 70.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.95 -31.03 68.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.7 mmt -60.09 147.88 37.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.401 HG22 ' HA ' ' A' ' 31' ' ' MET . 10.0 pt -133.53 174.91 12.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -126.36 105.64 8.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 23.2 mt -89.34 119.56 36.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -104.81 161.32 14.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 7.6 t -144.49 143.26 30.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 25.6 p -110.56 32.61 5.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.851 0.358 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.459 HD12 ' HB3' ' A' ' 15' ' ' TRP . 0.9 OUTLIER -116.95 136.3 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.046 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.81 102.94 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.38 -87.42 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.445 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.409 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.4 pt -132.01 30.82 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 111.119 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.409 ' CD1' HG13 ' A' ' 13' ' ' ILE . 68.3 m95 -132.29 139.0 48.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.459 ' HB3' HD12 ' A' ' 10' ' ' ILE . 35.6 p-90 -131.73 138.33 48.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.41 127.5 32.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.932 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 147' ' ' ILE . 31.3 m -64.62 177.85 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -139.43 -47.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -132.02 176.03 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.434 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 10.5 t80 -61.93 -39.74 93.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.21 -28.61 64.48 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.441 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -81.5 -31.53 32.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.488 HG12 HG11 ' A' ' 17' ' ' VAL . 8.8 mt -82.24 95.98 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -158.92 112.6 2.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.19 -156.57 15.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.24 130.6 47.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.426 HG22 ' HB2' ' A' ' 149' ' ' SER . 14.6 pt -146.61 159.45 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.9 137.49 54.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.105 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.534 HD12 ' CD2' ' A' ' 64' ' ' PHE . 4.4 mt -115.17 128.35 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.406 ' OE2' ' CZ ' ' A' ' 36' ' ' TYR . 13.0 tt0 -116.41 104.36 11.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.7 mtt -71.1 -55.71 7.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.547 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 0.8 OUTLIER -91.83 179.74 5.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 tttp -78.09 80.21 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.28 -27.54 8.45 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.551 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.547 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . . . -89.75 145.09 25.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.853 0.359 . . . . 0.0 111.164 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.406 ' CZ ' ' OE2' ' A' ' 30' ' ' GLU . 40.0 m-85 -118.54 174.17 6.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.3 mt -79.07 116.5 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -98.9 149.41 22.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.9 175.09 5.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.09 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.3 mt -145.07 140.43 28.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.62 -30.47 70.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -58.25 -28.53 65.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.39 30.07 2.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.8 mt -135.52 180.0 5.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.745 0.307 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.583 ' CE2' HD21 ' A' ' 84' ' ' LEU . 13.6 m-85 -137.21 126.18 24.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -126.62 157.85 37.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.1 tp -64.57 120.22 11.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.5 154.95 52.8 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . . . -75.75 132.47 74.79 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 120.502 0.191 . . . . 0.0 111.065 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.506 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 50.2 Cg_exo -53.54 173.37 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.446 2.098 . . . . 0.0 112.234 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -103.44 137.04 42.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -31.28 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -103.8 142.17 34.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -69.58 -31.14 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.062 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -104.03 83.44 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -147.79 160.33 42.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -99.7 155.86 19.74 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.454 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.43 145.83 54.36 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.57 2.18 . . . . 0.0 112.357 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.15 163.72 5.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.532 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 58.6 Cg_exo -50.44 -50.8 12.5 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.532 2.155 . . . . 0.0 112.711 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 40.0 Cg_endo -66.94 -25.58 44.71 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.076 1.851 . . . . 0.0 112.242 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 10.2 mt-10 -74.06 -30.02 62.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -68.1 165.4 18.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.802 ' CE1' HD11 ' A' ' 84' ' ' LEU . 79.5 m-85 -150.38 170.49 18.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -133.61 120.73 21.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.16 134.25 35.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.063 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.605 ' HB ' ' HB3' ' A' ' 75' ' ' ALA . 29.3 t -127.84 122.24 58.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.33 126.85 30.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.784 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.778 HD11 ' HB2' ' A' ' 75' ' ' ALA . 74.7 mt -113.65 -75.0 0.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.007 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m -179.99 155.49 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t70 59.33 36.41 23.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m 60.21 57.01 3.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -133.23 125.52 29.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.434 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 27.2 pt -106.33 134.2 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.778 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -92.45 95.18 9.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.503 ' HB3' HD12 ' A' ' 84' ' ' LEU . 20.3 mt -65.68 152.81 43.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -147.5 122.33 9.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 p -65.21 150.4 48.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.22 -28.23 68.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -59.97 -30.84 69.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.85 37.76 0.75 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.508 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -136.33 165.2 26.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -100.54 122.91 44.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.802 HD11 ' CE1' ' A' ' 64' ' ' PHE . 27.9 mt -63.19 110.53 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.81 128.83 4.23 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.532 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.2 pt -66.29 166.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -98.58 171.01 8.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.6 p -74.29 -31.69 62.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -75.01 -39.91 60.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.13 55.3 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.652 HD12 ' HB3' ' A' ' 133' ' ' GLU . 1.8 tp -146.0 130.28 17.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 110.956 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.56 120.35 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.0 m -136.65 176.24 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.25 93.5 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.5 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.5 ptt85 -147.93 31.78 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.817 0.341 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.14 130.85 51.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -98.6 31.17 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -137.03 -169.45 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.6 mt -127.34 85.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.2 -170.33 32.1 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.76 -28.74 30.08 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.554 2.169 . . . . 0.0 112.325 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 -79.01 -31.41 44.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -76.1 -16.57 59.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.223 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -74.91 157.1 35.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.847 0.356 . . . . 0.0 111.058 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.414 ' CE3' ' HA ' ' A' ' 118' ' ' ALA . 84.4 m95 -141.58 175.68 9.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.745 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -148.11 100.23 3.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.082 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.23 126.8 13.4 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.524 2.149 . . . . 0.0 112.235 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.5 t -113.62 158.16 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.24 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.477 ' N ' HG12 ' A' ' 108' ' ' VAL . 58.9 m-85 -137.03 132.67 34.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -140.67 101.15 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 59.28 41.26 20.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.34 -42.43 2.15 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -60.38 175.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 4.7 ptp -156.6 151.98 26.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -151.23 116.57 5.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.508 ' HB2' HD11 ' A' ' 145' ' ' ILE . 15.4 tp -69.55 95.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 123' ' ' PHE . 8.5 tp -81.61 123.15 28.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.493 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -59.85 170.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.8 t -73.78 -7.97 54.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.294 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.493 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 44.3 p30 -96.33 25.13 5.18 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.705 0.288 . . . . 0.0 111.095 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.1 p 54.9 34.75 22.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.156 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 3.1 m -139.54 122.05 16.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.504 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 73.8 m-85 -59.86 163.15 4.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.415 ' CD1' HD23 ' A' ' 116' ' ' LEU . 27.2 pt -112.1 159.51 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.36 162.39 6.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.4 p -105.1 152.59 22.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -105.52 173.92 6.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -90.45 -31.3 16.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.17 99.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 134.99 51.79 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.579 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -155.65 148.8 24.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 26.3 mt -126.78 97.12 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.652 ' HB3' HD12 ' A' ' 91' ' ' LEU . 3.6 pt-20 -115.64 179.59 3.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -101.82 122.44 43.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.32 175.47 10.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -59.89 177.8 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -59.49 -26.78 65.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.54 117.7 4.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.504 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -94.07 115.15 27.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -100.79 173.0 24.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -63.57 -31.67 72.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.28 -30.83 43.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.78 -30.43 67.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.4 mmt -58.77 145.42 40.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.508 HD11 ' HB2' ' A' ' 116' ' ' LEU . 4.6 pt -130.81 158.54 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.059 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -98.85 86.53 3.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.536 ' O ' HG22 ' A' ' 17' ' ' VAL . 24.2 mt -76.71 105.77 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.198 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -99.48 179.61 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.426 ' HB2' HG22 ' A' ' 27' ' ' ILE . 17.2 t -158.12 134.73 9.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . 0.405 ' HB3' ' CD2' ' A' ' 14' ' ' TRP . 13.3 p -104.68 31.6 4.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.806 0.336 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.527 ' O ' HG23 ' A' ' 10' ' ' ILE . 2.0 tt -124.01 116.48 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.3 106.89 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.26 -85.89 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.418 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.4 pt -135.4 30.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.418 ' CD1' HG13 ' A' ' 13' ' ' ILE . 69.5 m95 -134.57 120.41 19.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.5 p-90 -112.61 122.53 47.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.9 m -60.11 138.06 57.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.586 HG21 HG12 ' A' ' 23' ' ' ILE . 19.7 m -76.89 140.57 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.18 -37.6 10.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.793 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -138.06 171.48 14.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.506 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 89.7 t80 -59.34 -44.23 92.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.29 -26.94 45.32 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.478 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -79.93 -29.94 39.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.586 HG12 HG21 ' A' ' 17' ' ' VAL . 39.6 mt -70.72 97.33 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.079 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -152.6 161.02 43.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.95 -149.47 47.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.8 m -70.97 130.91 42.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.516 ' CD1' ' HB2' ' A' ' 66' ' ' ALA . 46.0 pt -148.64 147.19 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -106.84 151.42 25.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.2 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.509 ' HB ' HD12 ' A' ' 37' ' ' ILE . 22.7 mt -125.73 119.31 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.417 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 15.3 tt0 -107.35 127.47 53.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.612 ' HE2' HD12 ' A' ' 124' ' ' ILE . 6.6 mtt -92.01 -55.39 3.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.28 173.26 7.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.0 79.98 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.45 -28.62 3.57 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.546 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.713 ' HB2' ' HG3' ' A' ' 50' ' ' PRO . . . -99.68 152.24 20.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.81 0.338 . . . . 0.0 111.117 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.417 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 81.6 m-85 -125.61 167.82 14.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.509 HD12 ' HB ' ' A' ' 29' ' ' ILE . 32.9 mt -76.09 113.28 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.179 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -95.67 158.53 15.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -117.08 119.09 34.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.087 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.645 HD12 ' HB2' ' A' ' 44' ' ' LEU . 44.4 mt -77.63 169.42 18.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -89.36 -31.8 17.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -65.01 -32.88 74.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.64 41.7 0.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.429 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.645 ' HB2' HD12 ' A' ' 40' ' ' LEU . 8.0 mt -140.66 175.77 9.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -136.48 119.48 16.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.5 t -125.39 166.16 17.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 47' ' ' LEU . 13.6 tp -56.98 117.36 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.72 155.28 52.83 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.562 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.83 111.48 4.93 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 120.622 0.248 . . . . 0.0 111.024 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.713 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 54.4 Cg_exo -51.91 145.0 33.93 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.448 2.099 . . . . 0.0 112.361 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -70.02 157.52 37.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -84.57 -33.41 23.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.97 167.42 10.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.99 -64.72 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.58 83.21 6.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -132.74 155.4 48.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -101.22 149.07 18.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.62 157.69 55.27 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.566 2.178 . . . . 0.0 112.413 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.78 162.73 72.77 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.556 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 66.5 Cg_exo -49.96 -50.5 13.13 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.519 2.146 . . . . 0.0 112.693 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 38.1 Cg_endo -66.17 -24.46 51.54 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.149 1.899 . . . . 0.0 112.329 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -76.42 -30.99 57.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -69.98 141.78 52.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -124.57 164.16 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.23 118.49 26.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.516 ' HB2' ' CD1' ' A' ' 27' ' ' ILE . . . -80.68 154.32 27.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.063 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.792 ' HB ' ' HB3' ' A' ' 75' ' ' ALA . 21.5 t -141.85 99.04 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.732 ' HA ' HG22 ' A' ' 74' ' ' ILE . 12.6 mtpt -62.75 143.02 57.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.4 mt -133.44 -69.85 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.967 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.97 162.9 1.03 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 58.33 35.48 24.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.992 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.438 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 20.0 m 59.74 38.11 21.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -118.65 131.79 56.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.732 HG22 ' HA ' ' A' ' 68' ' ' LYS . 16.9 pt -126.58 156.89 37.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.792 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . . . -111.04 130.16 55.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.08 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.8 mt -94.23 141.76 28.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -129.07 128.85 44.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.772 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -78.58 155.31 29.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.51 -28.43 62.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.604 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -61.66 -35.51 78.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 121.67 37.19 0.68 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.523 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -137.83 164.25 29.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.343 . . . . 0.0 110.94 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -103.27 132.59 49.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.784 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.1 mt -60.55 111.69 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -128.0 135.84 8.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.488 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.3 pt -87.22 133.31 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.79 0.329 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -69.09 169.8 11.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.0 t -60.3 -31.42 70.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.8 -31.5 66.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 114.2 32.46 2.0 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.526 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 133' ' ' GLU . 4.5 tp -107.01 134.91 49.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.6 t -76.63 114.83 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.3 m -140.89 179.56 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.38 82.67 0.17 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -131.58 34.68 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 m -144.28 147.66 33.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -111.06 31.59 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -132.89 131.42 40.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.2 mt -77.72 78.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -87.71 175.88 45.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.35 -43.14 56.18 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.614 2.209 . . . . 0.0 112.244 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -70.0 -32.27 70.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.04 -28.95 63.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -58.51 157.87 8.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.424 ' CE3' ' CD2' ' A' ' 116' ' ' LEU . 96.2 m95 -137.52 -179.95 6.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -160.6 88.12 1.77 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.9 164.12 1.73 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.541 2.161 . . . . 0.0 112.235 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.4 t -143.07 159.18 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.504 ' HZ ' HD11 ' A' ' 23' ' ' ILE . 90.5 m-85 -151.65 122.36 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -142.92 125.8 16.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.95 29.39 18.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.49 -32.56 6.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.565 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -65.53 179.25 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.933 0.397 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.435 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 1.5 ptp -149.46 155.65 40.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -160.94 142.21 11.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.424 ' CD2' ' CE3' ' A' ' 105' ' ' TRP . 6.1 tp -96.49 129.51 43.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 tp -109.33 124.46 50.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.567 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -66.2 171.48 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.5 t -73.26 -7.75 52.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.328 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.567 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 38.8 p30 -96.01 25.14 4.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.67 0.271 . . . . 0.0 111.181 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 m 55.5 33.79 21.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 9.0 m -136.83 135.32 37.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.629 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 60.7 m-85 -68.78 169.25 11.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.761 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.612 HD12 ' HE2' ' A' ' 31' ' ' MET . 2.1 pt -100.43 158.57 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -176.47 137.89 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 21.5 p -78.25 168.86 19.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -115.2 172.33 7.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -84.24 -31.61 24.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.07 -47.85 26.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 139.48 44.51 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -148.25 100.77 3.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.445 HD13 HG23 ' A' ' 37' ' ' ILE . 11.4 mt -71.39 120.29 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.051 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.529 ' HB3' HD12 ' A' ' 91' ' ' LEU . 5.4 pt-20 -131.0 154.8 47.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.97 110.82 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.8 176.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -59.61 176.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.08 -30.97 71.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.962 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.39 118.05 5.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.629 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -105.09 107.57 18.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -96.7 177.11 32.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.429 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.14 -42.29 94.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 110.807 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.93 -35.71 77.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -26.22 68.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 26.1 mmt -56.06 116.04 2.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.434 HG22 ' HA ' ' A' ' 31' ' ' MET . 4.6 pt -105.89 179.97 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -132.19 106.57 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 2.0 mp -92.2 116.36 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -94.81 159.85 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 29.3 t -136.43 129.15 30.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.988 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . 0.407 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 29.9 p -108.66 32.21 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.566 ' O ' HG23 ' A' ' 10' ' ' ILE . 19.5 tt -115.17 114.4 46.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.064 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.9 t -104.55 101.37 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.76 -82.27 0.31 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.425 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.4 pt -139.26 31.46 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.425 ' CD1' HG13 ' A' ' 13' ' ' ILE . 75.3 m95 -138.72 114.73 10.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.828 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -103.52 132.51 49.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 m -67.86 131.53 45.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.734 HG21 HG12 ' A' ' 23' ' ' ILE . 11.6 m -77.61 167.07 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -121.41 -42.67 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -126.89 179.24 5.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.555 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 48.0 t80 -69.2 -34.54 75.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.23 -28.6 69.43 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.547 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.32 -32.95 49.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.734 HG12 HG21 ' A' ' 17' ' ' VAL . 35.0 mt -75.79 111.84 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.27 123.24 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.0 -157.44 19.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.435 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.4 m -63.6 112.43 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.582 HG22 ' OG ' ' A' ' 149' ' ' SER . 4.2 pt -127.52 173.21 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.54 168.11 16.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.3 mt -142.29 127.77 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -120.99 112.04 18.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.493 ' CE ' HD12 ' A' ' 124' ' ' ILE . 15.6 mtt -88.86 -55.01 3.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.31 179.11 7.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.798 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -78.08 83.08 4.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.4 -29.46 11.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.19 147.19 32.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -119.36 173.54 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 25.6 mt -77.36 115.27 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -98.66 124.76 43.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.0 147.39 25.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.067 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.1 mt -116.88 152.43 34.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -81.67 -28.65 33.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.057 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -56.12 -25.55 46.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.04 31.91 1.64 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.556 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mt -143.68 179.76 6.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 110.81 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -135.59 119.1 16.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.2 t -118.9 158.52 25.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.1 tp -75.7 121.95 23.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.37 169.36 54.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.441 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.15 143.07 64.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.661 0.267 . . . . 0.0 111.033 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -74.19 173.52 14.0 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.541 2.161 . . . . 0.0 112.316 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -109.18 145.31 36.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -74.22 -49.84 21.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -74.29 153.51 39.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.52 -64.79 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -69.04 83.7 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -146.01 121.38 10.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.03 156.56 43.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.528 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.23 164.16 36.02 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.518 2.146 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.92 161.54 78.1 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.549 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 59.0 Cg_exo -50.61 -49.96 15.12 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.563 2.176 . . . . 0.0 112.702 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 41.8 Cg_endo -67.48 -25.21 41.62 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.12 1.88 . . . . 0.0 112.229 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -77.1 -31.69 56.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -66.67 112.95 4.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.499 ' CE1' HD11 ' A' ' 84' ' ' LEU . 98.0 m-85 -99.52 177.2 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -138.43 118.45 13.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.6 134.59 34.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.7 t -127.79 124.69 63.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -63.79 153.02 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 75' ' ' ALA . 11.5 mt -140.58 -73.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 m 179.96 154.7 0.56 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 62.23 34.27 16.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.026 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.6 m 61.05 39.07 16.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.13 133.09 56.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.789 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.555 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 2.8 pt -124.35 139.89 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.065 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.531 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -94.05 128.11 40.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.7 ' HB3' HD12 ' A' ' 84' ' ' LEU . 15.5 mt -89.16 131.93 35.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -119.19 133.96 55.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.1 p -80.39 150.52 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.5 -30.7 68.84 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -60.96 -31.21 70.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.02 45.64 0.58 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.585 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -146.5 164.76 31.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.832 0.349 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -97.52 139.29 33.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.7 HD12 ' HB3' ' A' ' 76' ' ' LEU . 64.2 mt -79.31 108.41 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -116.32 152.29 17.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.546 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.442 HG22 HG22 ' A' ' 92' ' ' VAL . 12.3 pt -97.43 136.03 29.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 111.179 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -77.74 175.37 10.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 91.7 p -75.12 -39.52 60.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -28.74 69.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 115.5 29.48 2.47 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 tp -114.21 115.79 28.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.442 HG22 HG22 ' A' ' 86' ' ' ILE . 21.4 t -69.27 121.63 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.8 m -138.11 -179.98 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.36 102.52 0.51 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -172.68 82.23 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.37 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.0 m -154.34 -45.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.3 t70 62.61 34.81 14.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -164.83 148.44 8.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.8 mt -76.08 84.88 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.68 166.16 23.74 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.18 -37.01 68.98 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.587 2.191 . . . . 0.0 112.349 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.5 mtt85 -74.46 -31.67 62.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 1.2 mp0 -71.92 -12.36 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.288 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -74.45 150.77 39.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.897 0.38 . . . . 0.0 111.03 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.527 ' CE3' HD23 ' A' ' 116' ' ' LEU . 73.6 m95 -140.51 149.31 42.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.726 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -127.76 97.53 29.95 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.072 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.73 152.31 17.3 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.397 2.065 . . . . 0.0 112.132 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.4 t -136.61 154.66 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.227 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.437 ' CD2' ' HB3' ' A' ' 114' ' ' MET . 29.4 m-85 -144.47 122.24 11.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.768 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.34 133.51 22.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.986 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 58.41 27.15 15.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.059 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.33 -33.47 5.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.612 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -77.3 179.98 6.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.437 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 3.1 ptt? -147.48 141.19 25.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -138.94 117.85 12.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.527 HD23 ' CE3' ' A' ' 105' ' ' TRP . 0.3 OUTLIER -60.18 133.96 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.4 tp -110.92 123.55 50.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.421 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -69.67 167.93 15.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.1 t -67.06 -13.31 61.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.192 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -93.89 21.01 7.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.236 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.1 m 55.36 36.26 26.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.805 0.336 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 44.6 m -140.36 127.15 20.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -67.11 149.23 50.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.493 HD12 ' CE ' ' A' ' 31' ' ' MET . 45.0 pt -89.44 144.84 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -149.01 128.55 13.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 20.3 p -79.41 154.87 28.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -111.7 166.36 11.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.42 -33.12 62.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.69 -29.57 69.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 114.14 28.92 2.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.546 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -123.7 116.23 22.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.757 0.313 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 26.9 mt -93.7 124.13 46.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.3 179.88 6.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -93.88 106.47 18.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.201 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 170.83 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -59.12 172.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -60.33 -40.79 91.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 16.6 p -67.16 102.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -83.46 106.53 15.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -65.51 176.89 13.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.42 -40.52 91.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -71.91 -31.1 66.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -25.33 64.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 34.7 mmt -55.57 145.42 23.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.029 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.48 HG22 ' HA ' ' A' ' 31' ' ' MET . 3.1 pt -132.64 175.18 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -132.14 109.52 10.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 26.2 mt -91.44 119.96 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 29.4 mtt-85 -113.72 157.87 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.582 ' OG ' HG22 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -133.63 147.12 51.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 26.0 p -109.78 35.03 3.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.936 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.883 0.373 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.471 ' O ' HG23 ' A' ' 10' ' ' ILE . 18.4 tt -138.89 122.12 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t -100.17 91.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.41 -82.02 0.7 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.387 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.425 HG13 ' CD1' ' A' ' 14' ' ' TRP . 46.0 pt -136.28 29.29 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.795 0.331 . . . . 0.0 111.089 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.425 ' CD1' HG13 ' A' ' 13' ' ' ILE . 46.3 m95 -133.53 120.76 21.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -117.15 135.68 53.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 m -69.47 141.03 54.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.414 HG21 HG12 ' A' ' 23' ' ' ILE . 30.7 m -78.0 177.02 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.089 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.7 m -124.57 -43.94 2.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.42 172.62 11.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.548 ' CE1' HG23 ' A' ' 74' ' ' ILE . 76.5 t80 -57.98 -42.4 85.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.008 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.59 -20.64 52.51 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.705 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.17 -32.43 38.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.741 0.305 . . . . 0.0 110.952 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 20' ' ' PHE . 18.3 mt -70.72 124.79 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.076 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.9 t -177.43 150.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.99 -133.95 17.74 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.6 m -90.75 127.45 36.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.482 HD13 ' CG2' ' A' ' 147' ' ' ILE . 2.3 pp -141.15 134.98 31.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.018 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.26 148.01 27.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 30' ' ' GLU . 4.8 mt -116.96 155.96 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.448 ' N ' HG22 ' A' ' 29' ' ' ILE . 17.3 tt0 -145.1 116.7 8.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.786 ' HA ' HG22 ' A' ' 145' ' ' ILE . 45.4 mtt -86.35 -52.68 5.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.475 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 4.7 t0 -89.32 176.22 7.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.797 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -83.0 81.72 8.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.41 -28.2 7.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.437 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . . . -87.47 139.03 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -121.77 167.55 12.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.24 128.39 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -115.04 139.82 49.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.601 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -99.49 134.98 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.551 HD13 HD21 ' A' ' 42' ' ' ASN . 13.6 mt -93.66 156.3 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -31.48 72.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.551 HD21 HD13 ' A' ' 40' ' ' LEU . 19.0 p30 -70.41 -31.15 68.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 133.46 -26.77 3.47 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.39 179.95 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.854 0.359 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.601 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 25.0 m-85 -141.91 127.83 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 t -125.08 156.39 38.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.464 HD13 ' CB ' ' A' ' 126' ' ' CYS . 12.6 tp -72.51 114.26 10.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.0 149.56 51.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.446 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.41 138.16 96.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.5 0.19 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.55 157.97 8.67 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.437 2.092 . . . . 0.0 112.303 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -82.34 162.22 22.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -71.71 -74.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.41 158.99 31.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.99 -31.32 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -104.29 85.09 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -147.51 142.93 27.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.74 152.61 35.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.92 155.8 57.22 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.526 2.151 . . . . 0.0 112.347 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.404 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . 46.3 m -76.69 162.37 70.78 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.834 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.489 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 52.0 Cg_exo -53.83 -45.13 43.31 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.498 2.132 . . . . 0.0 112.735 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 60' ' ' PRO . 27.9 Cg_exo -61.46 -29.99 86.03 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.427 2.085 . . . . 0.0 112.026 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 19.6 mt-10 -81.91 -29.44 32.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -67.7 143.87 55.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' A' ' 62' ' ' GLU . 96.8 m-85 -134.51 150.13 50.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -103.12 124.76 49.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.447 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -93.76 161.54 14.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.41 ' HB ' ' HB3' ' A' ' 75' ' ' ALA . 21.6 t -152.15 109.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.787 ' HA ' HG22 ' A' ' 74' ' ' ILE . 6.1 mtpm? -63.08 128.14 34.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.6 mt -112.15 -76.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.8 p -179.68 154.71 0.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 59.75 41.07 18.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m 62.13 31.49 17.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -111.21 125.85 54.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.787 HG22 ' HA ' ' A' ' 68' ' ' LYS . 18.5 pt -129.31 144.37 38.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.047 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.41 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . . . -86.72 176.59 7.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.6 mt -145.84 130.72 18.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -123.38 132.35 53.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.52 158.66 25.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.74 -28.78 66.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.407 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -62.09 -30.36 70.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.39 29.71 2.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.59 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -124.75 176.06 6.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.736 0.303 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -114.66 129.39 56.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.532 HD21 ' CZ ' ' A' ' 45' ' ' PHE . 25.3 mt -65.33 139.53 58.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.43 159.42 28.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.596 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 pt -108.19 149.67 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -91.22 162.18 14.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -31.8 70.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.3 -43.98 80.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 135.0 48.72 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.62 159.28 42.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.9 t -109.47 102.91 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.0 m -130.15 137.64 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -102.54 79.96 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.571 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -144.44 79.3 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.794 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.52 -44.71 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.9 t0 67.14 33.04 5.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.959 0.409 . . . . 0.0 110.813 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -168.05 141.67 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.995 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 mt -70.42 98.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -114.74 -178.18 18.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.54 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.96 -44.15 10.47 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.602 2.202 . . . . 0.0 112.182 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -62.68 -29.88 70.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.412 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 11.6 mp0 -78.67 -19.9 51.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.216 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -68.03 148.65 50.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.825 0.345 . . . . 0.0 111.091 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.424 ' CE3' ' HA ' ' A' ' 118' ' ' ALA . 81.8 m95 -134.19 -179.92 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.776 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -155.83 92.65 2.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.993 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.31 116.42 4.5 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.537 2.158 . . . . 0.0 112.245 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.18 145.12 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -119.85 129.11 54.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.82 112.39 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 59.56 36.18 22.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.54 -33.4 5.7 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -64.08 178.57 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 9.0 ptp -154.53 151.38 28.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.84 143.04 21.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.444 HD23 HG21 ' A' ' 124' ' ' ILE . 5.0 tp -85.23 113.75 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.3 tp -98.06 130.78 44.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.424 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -83.05 169.4 15.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.7 t -68.81 -11.28 60.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.229 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -94.75 22.39 6.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.674 0.273 . . . . 0.0 111.288 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.7 m 55.28 36.49 27.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.228 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 4.9 m -138.75 130.09 27.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -69.05 159.02 33.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.499 ' HB ' ' HE1' ' A' ' 31' ' ' MET . 44.7 pt -77.52 155.81 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.23 141.5 16.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.464 ' CB ' HD13 ' A' ' 47' ' ' LEU . 11.1 p -105.04 118.75 37.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -78.15 168.84 19.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -78.2 -39.17 41.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.78 -30.36 71.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 117.06 34.24 1.26 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -124.39 100.5 6.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.788 0.328 . . . . 0.0 110.949 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 126' ' ' CYS . 33.8 mm -69.96 108.83 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.058 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -120.73 154.58 35.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -83.43 110.9 18.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.29 174.1 8.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -60.21 176.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -63.84 -29.53 70.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.4 p -57.74 100.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.68 102.38 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -87.95 179.99 47.21 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.54 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -63.99 -39.28 93.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.787 0.327 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -70.99 -37.25 72.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -63.43 -26.92 68.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.0 mmt -56.45 135.52 54.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.786 HG22 ' HA ' ' A' ' 31' ' ' MET . 1.4 pt -135.31 -179.98 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -144.62 89.81 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.619 HG13 HD12 ' A' ' 145' ' ' ILE . 7.2 mt -66.72 106.62 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -85.35 173.69 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.3 t -151.63 131.9 13.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . 0.412 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 9.9 p -105.66 31.61 4.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.79 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.931 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.805 0.335 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.696 HD13 ' HB3' ' A' ' 15' ' ' TRP . 9.3 tp -100.82 127.65 53.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.98 94.36 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.47 -72.77 0.46 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.361 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.405 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.0 pp -149.52 29.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.417 ' CE3' ' HB3' ' A' ' 150' ' ' CYS . 94.2 m95 -128.7 96.29 4.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.788 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.696 ' HB3' HD13 ' A' ' 10' ' ' ILE . 52.0 p-90 -94.86 122.37 37.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.86 163.4 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -107.45 132.46 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.225 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m -91.19 -37.35 13.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -132.01 173.29 11.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.458 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 79.7 t80 -72.77 -34.58 67.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.039 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.37 -25.07 54.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.687 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.3 -30.11 24.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.018 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mt -64.52 117.24 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 p -177.26 140.14 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.753 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.0 -146.57 19.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.2 m -80.32 131.85 35.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.502 HG22 ' HA ' ' A' ' 149' ' ' SER . 4.5 pt -143.57 173.97 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.64 153.16 51.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.487 HD11 ' CD2' ' A' ' 76' ' ' LEU . 7.7 mt -122.8 126.3 73.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -115.97 118.83 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.4 mtp -95.27 -48.63 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.657 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 0.5 OUTLIER -97.88 171.31 8.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -75.01 81.93 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.76 -28.54 9.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.554 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.657 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . . . -84.59 134.2 34.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.813 0.34 . . . . 0.0 111.132 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -113.87 163.6 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.446 HG23 ' CD1' ' A' ' 132' ' ' ILE . 33.7 mt -70.71 122.66 23.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -103.94 135.96 44.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.562 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -100.81 139.56 36.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.4 mt -107.64 151.67 25.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -73.89 -31.08 62.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -58.9 -26.27 64.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.27 28.62 2.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -133.36 179.89 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.779 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.658 ' HB3' HD12 ' A' ' 132' ' ' ILE . 33.7 m-85 -141.61 139.27 33.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.6 t -132.7 179.95 5.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.4 tp -95.0 107.53 19.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.31 175.81 3.08 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.443 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.92 145.19 29.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.715 0.293 . . . . 0.0 111.087 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.38 135.12 21.87 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.512 2.141 . . . . 0.0 112.326 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -67.18 164.33 18.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.77 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.7 mtt-85 -73.97 -72.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -67.41 172.69 4.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.3 p -89.0 -34.43 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -89.57 79.84 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -151.05 122.43 7.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.787 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.41 156.11 42.66 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.599 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.58 151.92 64.74 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.556 2.171 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.419 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . 46.2 m -63.82 162.98 24.54 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.749 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.504 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 49.0 Cg_exo -54.38 -45.19 42.86 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.5 2.133 . . . . 0.0 112.651 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 60' ' ' PRO . 37.5 Cg_exo -59.6 -27.74 85.71 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.552 2.168 . . . . 0.0 112.086 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.418 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 7.1 mt-10 -85.86 -28.42 24.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.02 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -60.62 123.97 19.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.428 ' CD1' ' HA ' ' A' ' 78' ' ' SER . 85.1 m-85 -111.27 171.14 7.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.1 m -130.51 129.08 42.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.458 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -96.71 145.57 25.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.68 109.75 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.768 ' HA ' HG22 ' A' ' 74' ' ' ILE . 1.8 mtpm? -62.63 143.01 57.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.4 mt -125.99 -68.03 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.016 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.9 p 179.92 152.06 0.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 t0 58.61 39.45 24.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.99 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.433 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 2.2 m 60.66 37.3 19.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.4 mmm-85 -117.33 110.17 17.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.768 HG22 ' HA ' ' A' ' 68' ' ' LYS . 16.3 pt -105.81 161.16 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -112.35 134.91 53.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.487 ' CD2' HD11 ' A' ' 29' ' ' ILE . 12.3 mt -99.59 144.28 28.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.442 ' HE3' ' CZ ' ' A' ' 83' ' ' TYR . 5.8 ttmm -135.96 128.83 31.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.428 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . 3.3 p -68.22 155.07 40.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.13 -27.84 60.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.552 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -66.02 -43.0 88.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.1 45.1 0.17 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.553 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -141.68 152.85 44.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.837 0.351 . . . . 0.0 110.826 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.442 ' CZ ' ' HE3' ' A' ' 77' ' ' LYS . 97.8 m-85 -89.29 132.63 34.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.441 HD21 ' CE2' ' A' ' 45' ' ' PHE . 42.6 mt -66.49 97.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -112.15 131.49 10.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.06 127.3 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -59.55 160.07 7.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -36.49 83.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -62.83 -44.82 95.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.53 44.18 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.39 152.8 47.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.812 0.339 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.489 HG21 HG22 ' A' ' 132' ' ' ILE . 21.6 t -95.4 117.1 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.1 m -137.88 175.42 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.92 93.02 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.87 33.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.2 134.48 46.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -98.69 31.01 3.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.14 166.64 23.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.5 mt -104.11 81.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -91.56 -165.78 39.76 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.0 -40.71 4.64 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.636 2.224 . . . . 0.0 112.283 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 41.1 mtt85 -66.72 -30.82 71.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 25.2 mp0 -75.04 -26.94 59.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -56.49 155.21 7.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.405 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 97.6 m95 -142.87 179.99 6.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -162.24 96.15 1.21 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.84 168.03 21.46 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.436 2.091 . . . . 0.0 112.247 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.4 t -148.03 158.9 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.482 ' N ' HG12 ' A' ' 108' ' ' VAL . 96.9 m-85 -152.76 120.11 5.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -144.7 124.59 13.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 59.39 28.81 18.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.8 -32.08 6.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -65.59 172.5 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.441 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 3.4 ptp -153.39 150.62 29.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.989 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.32 155.05 35.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.156 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.7 tp -107.05 130.52 54.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 31.1 tp -108.39 128.28 54.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 122' ' ' CYS . . . -73.33 165.54 24.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.7 t -67.72 -14.15 62.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.289 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 56.5 p30 -96.25 24.94 5.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.778 0.323 . . . . 0.0 111.198 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.8 p 57.37 41.38 26.5 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 118' ' ' ALA . 26.0 m -146.86 122.44 10.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -59.92 167.61 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 39.8 pt -94.61 164.97 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -176.52 137.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 20.3 p -94.11 146.48 23.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -90.52 175.51 7.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -82.01 -31.76 30.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.9 -33.94 51.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 124.73 40.78 0.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.528 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -127.29 99.85 5.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.658 HD12 ' HB3' ' A' ' 45' ' ' PHE . 33.4 mt -74.62 117.38 18.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.145 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.92 168.87 18.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.416 ' HB1' ' HB2' ' A' ' 122' ' ' CYS . . . -82.2 123.72 29.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -83.74 165.0 19.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -51.3 168.68 0.06 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -59.64 -36.7 76.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 30.0 p -58.87 102.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.499 ' HB1' ' CE ' ' A' ' 144' ' ' MET . . . -78.17 87.06 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -61.7 179.95 3.67 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.8 -37.7 73.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.793 0.33 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -72.62 -31.62 65.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -28.34 68.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.499 ' CE ' ' HB1' ' A' ' 139' ' ' ALA . 32.7 mmt -57.09 137.61 55.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.994 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 8.3 pt -119.07 -179.99 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -135.07 95.29 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 8.0 mt -80.99 128.1 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -124.29 145.29 49.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.502 ' HA ' HG22 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -107.57 162.38 14.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . 0.417 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 26.9 p -138.5 35.77 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 t0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.803 0.335 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 tt -126.6 136.33 61.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.6 96.71 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.74 -85.73 0.11 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.424 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.2 pt -130.91 30.75 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.428 ' CE2' ' HD2' ' A' ' 58' ' ' PRO . 84.5 m95 -135.02 143.88 47.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.518 ' HZ2' ' HB3' ' A' ' 151' ' ' ALA . 56.9 p-90 -139.58 135.53 33.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.413 HG22 ' HE1' ' A' ' 114' ' ' MET . 0.2 OUTLIER -70.34 143.24 52.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.546 HG11 HG12 ' A' ' 23' ' ' ILE . 30.8 m -81.41 170.03 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.2 p -127.14 -45.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -129.84 173.6 10.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.636 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 26.3 t80 -59.72 -44.99 93.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.44 -26.24 51.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.629 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -74.08 -34.86 64.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.546 HG12 HG11 ' A' ' 17' ' ' VAL . 30.0 mt -75.28 113.06 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.079 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.06 100.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.43 -147.73 16.95 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.425 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.9 m -78.17 126.98 31.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.696 HD13 ' H ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -141.58 147.82 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.34 133.49 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -109.27 127.3 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.218 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.416 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 10.9 tt0 -105.56 108.79 20.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.634 ' HE3' HD12 ' A' ' 124' ' ' ILE . 8.9 mtt -80.85 -67.71 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.3 178.06 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.97 84.56 4.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.9 -29.38 10.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.406 ' HB2' ' HB3' ' A' ' 50' ' ' PRO . . . -83.73 153.39 24.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.819 0.342 . . . . 0.0 111.078 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.416 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 71.9 m-85 -124.11 178.89 5.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.736 HG23 HD13 ' A' ' 132' ' ' ILE . 20.9 mt -81.69 123.04 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -107.72 149.43 28.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.64 159.32 16.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 44' ' ' LEU . 89.7 mt -128.01 169.23 14.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.949 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.72 -33.43 15.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.949 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -59.93 -29.42 68.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.07 35.17 0.97 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.528 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.467 ' HB2' HD12 ' A' ' 40' ' ' LEU . 5.3 mt -137.46 172.48 12.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.466 ' HB3' HD12 ' A' ' 132' ' ' ILE . 17.3 m-85 -134.81 117.11 15.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.987 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -112.7 169.85 8.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.0 tp -73.6 115.55 13.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.48 168.83 6.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.64 124.26 90.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.541 0.21 . . . . 0.0 111.052 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.406 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.59 131.86 22.38 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.402 2.068 . . . . 0.0 112.322 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -81.62 120.0 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -46.45 89.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -72.48 143.62 48.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.08 -32.01 31.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.09 86.79 4.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -159.39 123.04 3.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.09 147.38 33.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.428 ' HD2' ' CE2' ' A' ' 14' ' ' TRP . 50.7 Cg_exo -53.31 155.21 12.83 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.514 2.143 . . . . 0.0 112.285 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.9 m -72.83 160.91 81.72 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.56 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 54.1 Cg_exo -50.91 -48.71 19.63 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.571 2.181 . . . . 0.0 112.653 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 52.7 Cg_endo -69.56 -19.89 36.48 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.149 1.899 . . . . 0.0 112.467 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -83.24 -30.89 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.957 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -62.11 130.91 47.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -115.18 159.24 21.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.15 124.8 45.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.5 155.16 24.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.019 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.01 113.16 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -64.57 148.06 51.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.788 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.8 mt -139.71 -72.06 0.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 m 179.95 153.78 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 58.66 34.36 23.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 68.9 m 61.16 31.43 19.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -108.87 109.11 20.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.747 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.636 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 23.3 pt -102.24 170.13 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.283 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.56 124.87 43.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.719 ' HB3' HD12 ' A' ' 84' ' ' LEU . 17.3 mt -84.29 117.64 23.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -104.6 118.95 37.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 94.9 p -60.31 167.15 2.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.64 -39.14 94.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.547 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -60.2 -30.46 69.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.78 0.324 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.4 30.5 2.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -118.0 146.46 44.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -82.42 132.97 35.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.719 HD12 ' HB3' ' A' ' 76' ' ' LEU . 73.1 mt -70.83 120.7 16.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -131.16 134.14 7.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.519 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 pt -76.73 130.68 36.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -64.59 175.22 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 43.0 t -60.3 -41.19 92.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.21 -45.57 55.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.86 44.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.533 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.42 137.66 48.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.0 t -76.02 83.52 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.0 m -104.81 167.53 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -137.34 86.72 0.23 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -156.46 79.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.37 -47.69 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.1 t0 60.28 31.71 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -154.85 143.36 20.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.5 mm -71.04 110.55 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.204 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -131.87 168.22 22.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.6 -48.47 21.7 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.641 2.227 . . . . 0.0 112.304 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -64.99 -35.77 82.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 1.4 mp0 -74.37 -27.0 60.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.066 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -58.9 138.13 57.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.424 ' CE3' ' HA ' ' A' ' 118' ' ' ALA . 97.9 m95 -122.36 -179.99 4.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -165.26 95.1 0.86 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.968 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.09 145.47 61.13 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.477 2.118 . . . . 0.0 112.257 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.5 t -124.21 157.0 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.077 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.448 ' N ' HG12 ' A' ' 108' ' ' VAL . 72.3 m-85 -140.02 139.44 35.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.99 106.57 3.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 59.63 36.72 22.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.986 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.78 -39.53 2.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.466 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -59.54 167.05 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.767 0.318 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.413 ' HE1' HG22 ' A' ' 16' ' ' THR . 2.8 ptp -154.09 155.2 34.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -160.95 118.25 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.8 tp -64.46 117.69 7.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.407 HD13 ' CE1' ' A' ' 123' ' ' PHE . 18.8 tp -100.25 131.51 46.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.424 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -82.44 171.15 14.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.2 t -67.52 -12.13 59.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -94.13 22.74 5.56 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.727 0.298 . . . . 0.0 111.165 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.85 32.19 19.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.895 0.378 . . . . 0.0 111.102 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.5 m -138.08 132.56 32.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.407 ' CE1' HD13 ' A' ' 117' ' ' LEU . 75.0 m-85 -67.44 -179.99 1.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.634 HD12 ' HE3' ' A' ' 31' ' ' MET . 3.2 pt -110.86 145.65 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -156.45 143.7 19.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 20.7 p -93.54 156.3 16.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -105.01 176.08 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -86.86 -31.53 20.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.39 -34.66 68.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 124.26 46.2 0.26 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.437 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -136.92 110.13 7.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.736 HD13 HG23 ' A' ' 37' ' ' ILE . 32.8 mt -89.38 111.45 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.055 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -133.51 173.7 11.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -81.91 119.07 23.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.61 167.46 20.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -58.4 171.51 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -59.54 -33.57 71.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 82.2 p -64.63 120.02 11.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -92.14 116.66 29.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -95.33 175.18 33.02 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.446 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -37.01 85.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.842 0.353 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.52 -32.59 64.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.4 -25.99 66.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 11.6 mmt -55.54 120.82 7.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.033 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.502 HD12 HG13 ' A' ' 147' ' ' ILE . 2.0 pt -108.9 164.47 5.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -125.17 88.1 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.502 HG13 HD12 ' A' ' 145' ' ' ILE . 10.0 mt -68.77 93.12 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -85.6 147.97 26.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.491 ' OG ' HG22 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -126.87 151.37 48.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 25.3 p -117.64 36.21 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.518 ' HB3' ' HZ2' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 t0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.907 0.384 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -147.7 133.36 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.1 95.8 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.63 -83.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.534 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.408 HG13 ' CD1' ' A' ' 14' ' ' TRP . 0.9 OUTLIER -132.47 30.92 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 111.062 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.416 ' CD2' ' HB3' ' A' ' 150' ' ' CYS . 56.7 m95 -134.93 134.92 41.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 37.1 p-90 -120.37 129.66 54.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.3 m -66.38 140.52 58.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.2 m -79.42 149.58 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.4 t -108.4 -32.84 7.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -132.12 179.62 5.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.6 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 27.0 t80 -74.66 -37.91 62.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.17 -28.37 64.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -75.22 -28.94 60.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.931 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.495 HD11 ' HZ ' ' A' ' 109' ' ' PHE . 45.9 mt -70.23 102.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.1 m -164.06 135.8 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.45 -154.93 30.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 m -67.3 130.69 43.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.534 HG22 ' HB2' ' A' ' 149' ' ' SER . 3.9 pt -145.23 149.45 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.42 147.78 40.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.0 mt -118.52 149.72 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -134.72 101.04 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.494 ' HA ' HG22 ' A' ' 145' ' ' ILE . 11.6 mtt -77.55 -47.48 19.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.622 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 3.4 t70 -98.51 178.17 5.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.56 86.85 6.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.67 -26.72 18.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.55 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.622 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . . . -85.47 151.53 23.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 111.121 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -126.0 169.78 12.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.0 mt -74.3 113.03 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -99.93 141.83 32.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.87 134.09 49.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 40' ' ' LEU . 26.9 mt -88.44 143.35 27.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.92 -30.47 67.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -65.1 -38.51 90.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.82 -26.1 2.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.589 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mt -76.41 179.04 6.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.791 0.329 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CE2' HD21 ' A' ' 84' ' ' LEU . 18.5 m-85 -132.92 141.36 48.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.791 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -140.1 162.6 34.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.9 tp -66.85 122.53 17.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.16 179.06 32.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.83 120.0 70.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.462 0.173 . . . . 0.0 111.077 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.61 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 54.8 Cg_exo -52.23 146.96 29.46 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.417 2.078 . . . . 0.0 112.323 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -78.66 140.0 38.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -67.06 -34.59 78.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.83 156.55 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.43 -51.18 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -91.2 79.94 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -135.07 176.12 8.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -113.14 151.0 18.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.09 160.67 48.78 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.527 2.152 . . . . 0.0 112.324 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 m -74.55 162.6 72.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.531 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 51.9 Cg_exo -52.04 -48.0 23.81 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.604 2.203 . . . . 0.0 112.624 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 59.4 Cg_endo -72.42 -24.42 19.3 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.123 1.882 . . . . 0.0 112.385 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 20.7 mt-10 -76.92 -31.25 56.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -65.0 134.47 53.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.402 ' CE2' ' O ' ' A' ' 62' ' ' GLU . 99.4 m-85 -119.99 169.1 10.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.22 132.37 48.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.12 154.46 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -152.27 112.83 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.187 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -66.76 137.38 56.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.2 mt -122.28 -68.0 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.993 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.93 155.33 0.59 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 57.84 34.79 24.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.006 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 2.8 m 60.42 44.42 12.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -118.41 116.92 27.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.6 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 3.2 pt -110.09 142.31 22.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.36 123.41 46.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.9 mt -79.39 135.9 36.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -121.5 121.03 36.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 76.2 p -68.95 155.13 40.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.47 -29.06 65.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.555 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -66.04 -37.04 84.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.801 0.334 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 124.39 40.61 0.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -135.86 164.37 28.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.435 ' CZ ' HD11 ' A' ' 99' ' ' ILE . 37.8 m-85 -102.72 125.18 49.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.57 HD21 ' CE2' ' A' ' 45' ' ' PHE . 21.7 mt -64.46 127.64 32.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -144.51 153.15 24.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.574 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.604 HD13 ' ND2' ' A' ' 120' ' ' ASN . 2.9 pt -87.46 144.57 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.771 0.319 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -83.63 175.88 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -31.46 60.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.5 -45.94 42.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.0 59.64 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.546 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.5 tp -144.41 149.07 35.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.864 0.364 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.7 t -92.7 96.8 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.6 m -110.42 177.99 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.06 93.58 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.88 38.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.374 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.77 122.12 25.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.74 -33.55 74.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.38 178.5 5.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.064 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.435 HD11 ' CZ ' ' A' ' 83' ' ' TYR . 26.7 mt -135.28 85.28 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.175 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -91.72 -177.8 42.5 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.438 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.31 -43.39 54.18 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.568 2.179 . . . . 0.0 112.307 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -30.89 69.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.411 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 2.2 mp0 -82.05 -23.34 35.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -65.09 153.99 39.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 111.058 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.411 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 72.5 m95 -142.29 137.56 30.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.722 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.13 101.48 41.46 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.029 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.56 171.39 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.402 2.068 . . . . 0.0 112.229 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.8 t -152.63 96.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.204 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.495 ' HZ ' HD11 ' A' ' 23' ' ' ILE . 51.7 m-85 -99.95 120.77 40.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.795 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -142.97 121.66 12.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.022 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 57.93 31.64 20.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.51 -29.43 10.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.431 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -59.66 -179.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 6.0 ptm -168.59 129.08 1.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -143.91 153.33 42.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.049 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 tp -101.35 112.77 25.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.4 tp -94.62 123.36 38.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.51 168.95 17.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.7 t -71.93 -9.7 58.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.381 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.604 ' ND2' HD13 ' A' ' 86' ' ' ILE . 46.0 p30 -95.8 23.95 5.82 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.748 0.309 . . . . 0.0 111.201 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.88 37.69 26.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.088 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.546 ' HB2' ' HB1' ' A' ' 134' ' ' ALA . 21.0 m -146.69 129.61 16.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.861 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -65.99 179.59 0.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 20.2 pt -105.29 139.97 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.213 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.15 134.8 14.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 21.6 p -91.43 155.95 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -105.16 167.23 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -76.71 -31.71 57.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.63 -44.99 47.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 135.35 44.3 0.1 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.481 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -136.78 99.07 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.9 mt -76.37 107.03 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -116.94 173.45 6.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.546 ' HB1' ' HB2' ' A' ' 122' ' ' CYS . . . -94.16 102.23 14.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.96 163.47 12.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -53.13 172.85 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.164 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -59.34 -32.51 70.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 68.0 p -60.38 97.33 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -79.57 98.53 6.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -75.35 177.64 48.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -31.52 72.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -83.6 -32.01 25.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.75 -29.48 70.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.2 mmt -58.53 159.14 6.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.494 HG22 ' HA ' ' A' ' 31' ' ' MET . 2.8 pt -136.06 174.22 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.211 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -133.18 99.85 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.485 HG13 HD12 ' A' ' 145' ' ' ILE . 4.6 mt -82.78 128.3 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 31.6 mtt-85 -123.37 156.01 36.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.534 ' HB2' HG22 ' A' ' 27' ' ' ILE . 28.2 t -131.28 133.87 45.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . 0.416 ' HB3' ' CD2' ' A' ' 14' ' ' TRP . 26.4 p -102.88 31.74 4.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.057 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.867 0.365 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.411 HD13 ' HB3' ' A' ' 15' ' ' TRP . 8.5 tp -141.35 145.38 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.17 89.56 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.1 -72.2 0.42 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.419 HG13 ' CD1' ' A' ' 14' ' ' TRP . 7.1 pt -150.73 30.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 111.124 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.433 ' CZ2' ' HD2' ' A' ' 58' ' ' PRO . 86.4 m95 -132.61 90.49 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.411 ' HB3' HD13 ' A' ' 10' ' ' ILE . 56.2 p-90 -85.35 135.84 33.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.17 139.22 48.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.4 m -75.98 174.03 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.6 m -128.71 -45.91 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -126.44 -178.29 4.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.733 ' HA ' HD12 ' A' ' 23' ' ' ILE . 70.3 t80 -69.22 -41.84 76.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.28 -27.69 63.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.583 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -75.99 -31.28 58.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.733 HD12 ' HA ' ' A' ' 20' ' ' PHE . 14.4 mt -72.47 107.15 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.056 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.9 m -164.42 138.28 5.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.43 -158.77 29.06 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.576 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.9 m -71.16 120.2 16.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.469 HG22 ' HA ' ' A' ' 149' ' ' SER . 39.4 pt -137.97 145.92 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.55 162.15 14.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.47 HD11 HD11 ' A' ' 76' ' ' LEU . 21.3 mt -134.79 135.79 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.159 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -116.9 114.47 23.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 49.1 mtt -82.55 -50.26 8.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.506 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 0.6 OUTLIER -104.7 -179.97 4.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.66 81.3 1.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.16 -27.29 16.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.506 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . . . -74.8 133.47 41.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.751 0.31 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -117.73 148.87 41.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.46 HG23 ' CD1' ' A' ' 132' ' ' ILE . 3.8 mt -60.92 97.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -78.99 143.3 35.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.88 134.27 50.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.3 mt -94.5 144.82 25.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.76 -30.21 67.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -67.74 -38.18 83.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.47 -23.24 2.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.538 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.08 168.72 18.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.656 ' HB3' HD12 ' A' ' 132' ' ' ILE . 35.2 m-85 -131.1 127.84 38.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 t -124.21 168.81 12.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.667 HD13 ' SG ' ' A' ' 126' ' ' CYS . 15.4 tp -73.62 110.15 7.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.06 151.89 52.59 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.463 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.32 148.94 97.65 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.697 0.284 . . . . 0.0 111.055 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.86 147.88 56.73 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.585 2.19 . . . . 0.0 112.316 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -74.16 146.89 43.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -53.53 46.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -91.51 177.79 6.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.62 -31.14 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.68 91.67 4.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -159.44 146.42 16.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.775 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.51 144.4 19.03 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.433 ' HD2' ' CZ2' ' A' ' 14' ' ' TRP . 50.8 Cg_exo -53.84 163.56 2.93 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.49 2.127 . . . . 0.0 112.327 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.6 p -68.04 163.29 52.24 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.8 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.533 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 52.2 Cg_exo -51.51 -47.95 23.67 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.517 2.145 . . . . 0.0 112.67 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 62.3 Cg_endo -73.4 -24.0 16.9 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.083 1.855 . . . . 0.0 112.397 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -72.4 -38.39 68.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -61.48 104.29 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.478 ' HB3' HD22 ' A' ' 76' ' ' LEU . 93.7 m-85 -89.31 149.85 22.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.35 114.03 27.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.94 151.44 31.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.23 113.42 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.488 ' HA ' HG22 ' A' ' 74' ' ' ILE . 1.9 mtpm? -72.04 148.4 45.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mt -133.55 -67.58 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 51.2 p -180.0 160.53 0.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.4 t0 59.42 31.07 20.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.978 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.418 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 0.8 OUTLIER 60.61 36.76 19.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -116.46 112.78 21.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.488 HG22 ' HA ' ' A' ' 68' ' ' LYS . 17.4 pt -103.96 164.35 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.22 135.34 52.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.478 HD22 ' HB3' ' A' ' 64' ' ' PHE . 26.7 mt -96.13 149.03 22.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.3 tttt -134.26 113.45 11.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 p -60.01 153.01 22.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.992 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.67 -27.66 68.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.544 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.19 -30.69 68.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 110.945 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.61 35.94 1.03 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.424 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -136.37 173.03 12.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -112.73 128.26 56.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.573 HD21 ' CE2' ' A' ' 45' ' ' PHE . 38.4 mt -60.07 121.54 12.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -135.43 148.02 19.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.549 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 pt -101.41 128.56 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 111.109 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -66.89 171.09 5.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.05 -33.68 73.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -67.42 -31.34 71.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.18 33.5 1.48 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.416 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.9 tp -110.63 148.29 32.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.651 HG21 HG22 ' A' ' 132' ' ' ILE . 21.6 t -89.36 117.19 32.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.2 m -139.34 178.49 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.214 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -163.72 106.52 0.28 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -157.88 31.27 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 t -120.56 132.75 55.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -98.48 31.0 2.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -156.41 164.03 38.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.6 mm -81.37 144.87 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.06 -172.17 22.48 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.449 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.02 -35.21 9.3 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.585 2.19 . . . . 0.0 112.283 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -75.69 -33.69 60.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.409 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 32.9 mp0 -76.39 -8.54 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.341 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -73.31 135.33 44.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.797 0.332 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.409 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 87.0 m95 -128.8 170.77 12.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -154.08 92.5 3.04 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -51.31 148.63 18.58 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.562 2.175 . . . . 0.0 112.375 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.11 111.81 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.538 ' HZ ' HD11 ' A' ' 23' ' ' ILE . 95.2 m-85 -93.31 137.92 32.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.967 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -140.26 98.86 3.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 60.0 49.56 7.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.95 -45.77 2.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.415 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -63.85 179.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.818 0.342 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.45 153.47 31.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.66 104.82 2.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.1 tp -61.23 124.14 19.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.7 tp -98.12 121.02 39.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.57 166.66 10.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.065 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.8 t -61.68 -17.08 54.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -94.85 23.82 5.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.285 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.5 p 55.17 39.36 31.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.083 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.681 ' CB ' ' HB1' ' A' ' 134' ' ' ALA . 66.4 m -135.78 141.84 44.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.851 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.658 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 91.1 m-85 -88.24 133.98 33.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 27.5 pt -61.38 149.41 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -164.05 135.32 4.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.667 ' SG ' HD13 ' A' ' 47' ' ' LEU . 27.4 p -84.14 172.72 11.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -122.78 179.66 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -86.79 -31.65 20.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.31 -42.38 25.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 132.81 49.83 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -142.75 106.63 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.656 HD12 ' HB3' ' A' ' 45' ' ' PHE . 31.2 mt -83.63 121.76 36.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.048 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -136.1 166.55 23.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.681 ' HB1' ' CB ' ' A' ' 122' ' ' CYS . . . -86.5 115.69 24.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.13 179.72 1.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.03 176.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -62.16 -46.4 89.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.9 m -59.93 135.1 57.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.658 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -108.41 113.63 26.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -83.69 177.73 52.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.36 -31.84 70.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -80.41 -30.44 37.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -28.1 65.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 10.6 mmt -58.22 146.77 32.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 3.0 pt -130.37 171.79 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -119.93 105.34 10.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 19.7 mt -94.58 118.1 39.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 27.5 mtt-85 -108.5 152.73 24.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.469 ' HA ' HG22 ' A' ' 27' ' ' ILE . 46.1 t -129.55 149.14 51.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 15.4 p -115.95 32.16 6.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m 60.01 30.39 19.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -177.61 149.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.5 -84.12 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.515 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -163.48 90.43 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.6 p -92.82 131.52 37.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.88 -47.09 1.04 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.494 HD21 ' O ' ' A' ' 16' ' ' THR . 13.5 tp -109.63 132.56 54.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.763 0.316 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.84 99.02 1.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.5 tt -115.17 129.59 71.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.31 117.49 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.37 -89.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.441 HG13 ' CD1' ' A' ' 14' ' ' TRP . 43.7 pt -134.65 31.1 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 111.095 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.441 ' CD1' HG13 ' A' ' 13' ' ' ILE . 59.1 m95 -134.42 130.61 37.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 51.6 p-90 -127.54 141.39 51.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.494 ' O ' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -68.14 134.32 50.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.609 HG21 HG12 ' A' ' 23' ' ' ILE . 17.2 m -72.91 163.77 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.1 m -106.33 -38.11 6.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.42 177.67 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.779 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 46.3 t80 -58.33 -44.0 88.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.047 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.26 -24.82 38.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.654 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.79 -30.75 22.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 20' ' ' PHE . 20.1 mt -72.05 90.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.053 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -150.43 144.46 25.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.11 -162.74 44.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.426 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -60.6 130.59 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.32 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 pt -147.81 164.5 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.65 142.44 50.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.1 mt -114.27 146.83 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -127.82 116.02 19.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.545 ' HA ' HG22 ' A' ' 145' ' ' ILE . 25.0 mtt -86.3 -60.11 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.804 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.71 179.98 5.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -80.61 86.52 5.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.07 -30.48 8.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.417 ' HB1' ' HG ' ' A' ' 47' ' ' LEU . . . -83.82 143.48 29.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.834 0.349 . . . . 0.0 111.111 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -119.46 159.97 23.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.572 HG23 HD13 ' A' ' 132' ' ' ILE . 3.2 mt -69.78 115.22 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -95.65 160.52 14.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -118.74 152.31 36.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.071 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.0 mt -119.96 144.78 47.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.95 -34.41 76.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -59.2 -26.5 64.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.989 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.68 30.34 2.03 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.568 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.6 mt -129.26 176.52 7.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.771 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.912 ' HB3' HD12 ' A' ' 132' ' ' ILE . 19.6 m-85 -140.13 132.88 29.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 t -138.37 159.83 41.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.417 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 12.5 tp -70.82 115.74 10.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.76 157.38 52.53 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.406 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.45 143.59 85.56 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.627 0.251 . . . . 0.0 111.056 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.78 166.11 30.88 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.451 2.1 . . . . 0.0 112.326 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -90.94 145.87 24.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.86 -32.6 21.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.19 161.05 21.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -84.39 -41.84 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.57 98.14 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -156.78 151.2 25.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -96.61 158.57 21.51 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.502 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.401 ' HD2' ' NE1' ' A' ' 14' ' ' TRP . 57.2 Cg_endo -71.42 171.55 15.96 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.583 2.188 . . . . 0.0 112.297 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.8 p -80.51 164.56 51.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.519 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 51.5 Cg_exo -53.18 -48.2 23.36 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.499 2.133 . . . . 0.0 112.63 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 60.5 Cg_endo -72.87 -26.3 15.75 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.173 1.915 . . . . 0.0 112.33 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.4 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 9.5 mt-10 -70.57 -31.62 68.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -73.63 156.55 37.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.4 ' CE2' ' O ' ' A' ' 62' ' ' GLU . 91.4 m-85 -136.91 147.06 46.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.68 119.62 38.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.36 144.29 25.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.01 120.27 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.409 ' HE3' ' CE2' ' A' ' 20' ' ' PHE . 5.6 mtpt -69.26 146.53 52.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.804 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.6 mt -133.39 -73.36 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.94 159.03 0.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.09 34.13 21.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.991 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.436 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 3.1 t 60.5 43.64 12.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 -120.84 129.92 53.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.779 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 15.8 pt -118.91 148.62 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.19 126.97 51.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.448 ' HB3' HD12 ' A' ' 84' ' ' LEU . 12.4 mt -97.97 134.46 41.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -119.0 116.84 27.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.3 p -61.45 152.24 30.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.77 -30.26 68.94 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -62.49 -30.8 71.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.1 35.21 1.14 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.517 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -135.67 171.39 14.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.785 0.326 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -103.06 136.53 42.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.448 HD12 ' HB3' ' A' ' 76' ' ' LEU . 96.0 mt -71.44 98.61 1.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -116.5 129.18 8.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 pt -72.66 132.88 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 111.145 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -76.74 175.63 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m -63.82 -38.83 92.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.61 -31.11 70.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 111.73 28.15 3.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.527 HD12 ' HB3' ' A' ' 133' ' ' GLU . 4.6 tp -105.4 127.81 53.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.555 ' CG2' HG22 ' A' ' 132' ' ' ILE . 21.6 t -64.32 108.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.068 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.8 m -127.51 164.75 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.147 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.32 96.55 0.2 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.545 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -150.27 63.73 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.798 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.26 135.8 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.84 30.55 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.34 166.77 22.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.2 mt -104.41 79.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -89.81 178.07 43.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -51.19 -49.16 17.99 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.598 2.199 . . . . 0.0 112.321 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 42.3 mtt85 -62.02 -30.91 71.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 26.9 mp0 -74.4 -30.64 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -63.44 144.27 57.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.405 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 94.8 m95 -131.67 166.62 21.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.68 93.82 4.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -68.62 154.11 72.13 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.436 2.091 . . . . 0.0 112.269 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.3 t -128.78 158.79 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.228 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.525 ' HZ ' HD11 ' A' ' 23' ' ' ILE . 78.2 m-85 -149.42 108.7 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -136.01 119.35 16.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 59.14 28.85 18.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.93 -28.38 12.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.518 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -62.41 179.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -174.39 148.43 1.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.421 ' HB3' ' CE1' ' A' ' 123' ' ' PHE . . . -157.81 135.58 10.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.6 tp -75.77 105.73 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.57 132.25 35.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.405 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -77.52 172.05 13.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.5 t -70.16 -9.87 57.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.275 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.405 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 47.4 p30 -94.08 22.09 6.17 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.242 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 m 56.02 48.09 18.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.891 0.376 . . . . 0.0 111.043 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.3 m -155.6 140.04 16.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.617 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 32.7 m-85 -69.73 -179.91 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 17.9 pt -135.72 148.65 28.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.232 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -162.23 173.78 13.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 49.5 t -122.2 156.83 32.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -100.84 179.86 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.71 -33.18 73.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.85 -30.63 68.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 112.2 30.98 2.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.465 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -107.1 104.25 13.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.912 HD12 ' HB3' ' A' ' 45' ' ' PHE . 17.4 mt -84.45 110.9 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.527 ' HB3' HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -135.11 168.14 19.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -85.46 128.33 34.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.64 173.79 7.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -60.46 173.35 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -59.87 -28.56 67.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 81.1 p -57.93 125.53 23.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.627 ' HB1' ' HE1' ' A' ' 144' ' ' MET . . . -96.63 102.49 14.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -75.27 176.5 49.88 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -68.08 -40.56 82.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.92 -28.22 60.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.26 -30.03 64.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.627 ' HE1' ' HB1' ' A' ' 139' ' ' ALA . 32.8 mmt -59.33 122.65 14.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.545 HG22 ' HA ' ' A' ' 31' ' ' MET . 25.4 pt -109.56 166.22 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -117.28 100.66 7.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 27.6 mt -77.94 126.77 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -123.82 139.41 54.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.5 t -113.89 152.66 30.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 10.3 p -130.45 32.58 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -80.67 -176.82 5.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.45 119.9 14.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -84.11 -175.85 5.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -115.4 31.63 6.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.93 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 t -168.72 109.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 t -100.28 33.57 2.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.35 -164.87 12.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.535 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m -121.62 91.34 3.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.0 m -81.99 -44.41 16.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.05 83.69 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.91 143.13 50.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.99 143.13 50.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.8 tt -163.16 128.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.4 t -121.33 94.11 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.2 -80.62 0.72 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.432 HG13 ' CD1' ' A' ' 14' ' ' TRP . 13.8 pt -140.62 30.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 111.124 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.432 ' CD1' HG13 ' A' ' 13' ' ' ILE . 87.5 m95 -134.28 103.77 5.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -103.89 137.37 41.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 m -66.07 133.6 51.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.6 m -66.46 -179.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -141.23 -47.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -124.57 176.04 6.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.761 ' CE1' HG23 ' A' ' 74' ' ' ILE . 76.0 t80 -63.12 -30.62 71.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.06 -29.38 72.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.457 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.05 -31.85 73.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.472 HG21 HD13 ' A' ' 74' ' ' ILE . 14.0 mt -75.03 106.0 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.051 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.2 m -161.6 135.71 6.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.95 -141.04 27.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.8 m -72.04 138.85 48.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.644 HD13 ' HB2' ' A' ' 66' ' ' ALA . 23.4 pt -149.66 179.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.92 142.17 20.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mt -111.69 141.04 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -125.3 117.56 24.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.488 ' HE3' HD12 ' A' ' 124' ' ' ILE . 31.6 mtt -90.72 -49.76 6.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.65 174.76 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -78.39 82.01 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.14 -32.98 5.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.61 133.62 33.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 111.066 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -116.42 174.61 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.2 mt -79.45 114.15 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -97.61 157.94 15.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -118.4 148.0 42.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.8 mt -114.43 155.6 26.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -79.92 -31.65 40.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -59.5 -29.7 68.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.57 35.38 1.0 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.13 172.5 12.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.723 0.297 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.449 ' CZ ' ' CD2' ' A' ' 84' ' ' LEU . 12.1 m-85 -131.18 119.35 21.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 t -122.32 175.88 6.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.408 HD13 ' CB ' ' A' ' 126' ' ' CYS . 11.5 tp -87.75 111.75 21.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.49 159.08 30.71 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.486 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.41 141.85 88.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.692 0.282 . . . . 0.0 111.049 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.21 155.22 51.88 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.526 2.15 . . . . 0.0 112.331 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -85.31 163.8 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -95.91 -46.09 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.84 146.18 26.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -73.39 -36.12 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -87.09 65.44 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -145.92 127.39 15.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.31 166.08 49.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.53 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.23 163.32 34.77 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.575 2.183 . . . . 0.0 112.274 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.4 m -70.95 163.91 61.03 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.523 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 51.7 Cg_exo -54.32 -47.46 26.8 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.602 2.202 . . . . 0.0 112.679 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 70.8 Cg_endo -74.9 -24.48 13.02 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.248 1.965 . . . . 0.0 112.524 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -70.46 -30.81 67.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -75.58 130.13 38.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.872 ' CD1' HD11 ' A' ' 84' ' ' LEU . 89.6 m-85 -109.68 150.88 27.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.03 129.05 44.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.644 ' HB2' HD13 ' A' ' 27' ' ' ILE . . . -92.45 138.61 31.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.03 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.436 ' HB ' ' HB3' ' A' ' 75' ' ' ALA . 21.4 t -137.01 114.48 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.262 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.69 141.73 55.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.701 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.658 HD11 ' HB2' ' A' ' 75' ' ' ALA . 9.2 mt -125.73 -75.79 0.59 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.046 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.6 p 179.91 159.11 0.76 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 57.99 40.25 25.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.433 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 49.8 m 61.26 31.35 19.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 50.0 mmm-85 -108.17 142.11 38.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.761 HG23 ' CE1' ' A' ' 20' ' ' PHE . 12.2 pt -133.7 146.97 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.658 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -105.06 130.42 53.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.698 ' HB3' HD12 ' A' ' 84' ' ' LEU . 47.9 mt -93.11 157.81 16.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -141.29 145.41 35.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.7 p -83.04 153.74 24.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.93 -28.54 66.22 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.529 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -73.75 -50.01 22.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 141.6 53.26 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.562 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -147.85 135.89 21.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -73.28 126.86 31.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.872 HD11 ' CD1' ' A' ' 64' ' ' PHE . 90.5 mt -63.41 109.97 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -120.27 152.28 17.02 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.544 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.425 HG21 ' HB1' ' A' ' 118' ' ' ALA . 35.8 pt -94.46 153.4 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 111.114 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -93.34 179.24 5.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.5 m -75.81 -37.99 58.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.94 -41.39 74.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 131.11 43.49 0.18 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.642 HD12 ' HB3' ' A' ' 133' ' ' GLU . 4.4 tp -126.39 130.39 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.4 t -78.51 119.51 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.9 m -132.34 179.59 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.42 84.78 0.17 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.447 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -136.52 31.76 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.33 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 m -142.08 130.95 22.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.71 32.09 3.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -127.35 150.97 49.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.9 mt -90.54 89.46 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.92 167.24 15.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.436 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -51.95 -52.47 8.9 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.533 2.155 . . . . 0.0 112.348 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -59.65 -30.89 69.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.96 -29.29 61.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.471 ' OE1' HD13 ' A' ' 69' ' ' LEU . 1.6 mt-30 -64.73 165.92 9.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -143.4 151.35 40.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -122.1 89.1 48.5 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.533 ' HG3' HD11 ' A' ' 74' ' ' ILE . 52.6 Cg_exo -54.58 152.97 25.17 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.61 2.207 . . . . 0.0 112.201 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -136.44 144.95 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.447 ' HZ ' HD11 ' A' ' 23' ' ' ILE . 38.0 m-85 -145.21 129.72 17.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -148.92 116.48 6.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.52 33.9 20.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.45 -39.26 2.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -61.82 179.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.437 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 1.4 ptt? -169.5 155.25 6.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.39 123.18 5.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.1 tp -70.86 116.4 11.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.4 tp -99.72 118.2 35.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.432 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -61.14 167.03 3.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 t -68.97 -12.2 61.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.334 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.432 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 35.8 p30 -95.44 25.47 4.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.658 0.266 . . . . 0.0 111.172 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.21 41.23 29.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.994 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 40.0 m -142.1 141.05 32.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.967 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -78.67 132.22 36.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.488 HD12 ' HE3' ' A' ' 31' ' ' MET . 1.0 OUTLIER -72.54 158.75 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 59.6 ttt-85 -170.14 163.55 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.408 ' CB ' HD13 ' A' ' 47' ' ' LEU . 17.3 p -99.34 179.99 4.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -128.35 179.88 5.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -83.34 -43.78 15.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.24 -32.93 69.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 121.26 57.46 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.439 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -139.32 101.65 4.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.807 0.337 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.6 mm -69.66 108.22 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.642 ' HB3' HD12 ' A' ' 91' ' ' LEU . 3.7 pt-20 -134.01 169.53 16.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -90.75 146.46 23.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.47 179.95 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.28 162.83 4.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -59.9 -30.95 69.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.65 119.06 6.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -84.06 158.94 21.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.096 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -156.9 -179.91 32.21 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.54 -44.38 90.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.85 -36.94 70.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -64.14 -29.18 70.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.3 mmt -58.28 158.24 7.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 9.3 pt -141.19 173.4 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.65 115.67 13.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 27.6 mt -100.32 147.09 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -138.28 149.92 46.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 46.1 t -119.44 158.72 25.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 14.0 p -121.79 35.47 4.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -70.94 175.46 5.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.99 97.91 10.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -94.25 164.82 12.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -121.47 117.43 26.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 155' ' ' THR . 2.5 t . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.154 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -174.35 148.09 1.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.363 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.83 -50.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.39 -158.89 8.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m 60.23 31.56 20.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.37 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 m -112.96 99.56 7.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.82 -155.29 7.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.554 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -76.09 129.77 37.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.35 110.98 17.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 tt -122.36 134.58 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.71 89.14 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.59 -83.54 0.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.474 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.1 pp -136.67 30.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.445 ' NE1' HD11 ' A' ' 13' ' ' ILE . 88.6 m95 -135.47 112.3 10.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.411 ' CD1' ' HD3' ' A' ' 153' ' ' ARG . 20.3 p-90 -111.73 142.95 43.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.73 158.08 35.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 147' ' ' ILE . 9.9 m -98.37 169.42 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.149 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.1 -44.99 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -123.56 178.51 5.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 72' ' ' SER . 25.7 t80 -66.68 -32.5 73.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.67 -28.54 68.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.469 ' HB3' HG12 ' A' ' 17' ' ' VAL . 3.2 mm-40 -71.37 -30.36 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 111.008 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.602 HG21 HD13 ' A' ' 74' ' ' ILE . 32.8 mt -70.07 91.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.8 p -156.66 138.19 14.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.57 -134.11 12.4 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.538 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.1 m -92.5 129.0 38.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.504 HD11 HD21 ' A' ' 76' ' ' LEU . 8.9 pt -134.71 169.2 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.43 117.06 11.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.612 ' CG2' HD12 ' A' ' 145' ' ' ILE . 1.9 mp -90.53 139.11 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -123.29 120.34 32.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.41 ' HE2' ' HA ' ' A' ' 125' ' ' ARG . 7.4 mtp -94.17 -51.06 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.446 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 2.0 t0 -100.0 171.3 7.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -76.67 80.97 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.57 -27.57 6.84 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.56 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . . . -85.96 157.24 20.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 111.153 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -135.03 169.13 17.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.556 HD12 ' HB ' ' A' ' 29' ' ' ILE . 26.0 mt -77.69 114.69 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -108.9 143.43 38.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.608 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -107.63 156.86 18.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.9 mt -114.66 145.41 42.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.15 -33.2 70.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -62.81 -30.26 71.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 129.9 -24.38 4.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.612 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.71 166.61 23.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.754 0.311 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.842 ' HB3' HD12 ' A' ' 132' ' ' ILE . 11.5 m-85 -128.73 123.58 33.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.0 t -118.38 166.8 12.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.663 HD13 ' SG ' ' A' ' 126' ' ' CYS . 13.4 tp -84.49 112.68 20.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.41 143.89 48.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.84 148.92 74.85 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.668 0.271 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.72 138.21 34.27 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.577 2.184 . . . . 0.0 112.275 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -60.51 163.42 5.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.14 -56.15 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -74.28 163.78 27.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.2 p -83.5 -31.11 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.52 86.44 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -153.52 129.7 10.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.81 164.99 45.3 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.438 ' HD2' ' CE2' ' A' ' 14' ' ' TRP . 53.2 Cg_endo -69.8 150.69 68.3 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.54 2.16 . . . . 0.0 112.329 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.46 162.94 22.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.551 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 59.8 Cg_exo -50.3 -50.61 13.0 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.582 2.188 . . . . 0.0 112.707 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 37.8 Cg_endo -66.41 -25.55 48.66 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.133 1.889 . . . . 0.0 112.19 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 76.7 mt-10 -78.98 -27.73 43.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -71.28 113.46 8.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' A' ' 62' ' ' GLU . 94.8 m-85 -97.53 152.78 18.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.9 m -116.26 119.36 35.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.57 145.41 24.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.92 110.92 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -61.99 153.24 30.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mt -136.46 -65.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.02 151.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.59 34.2 20.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 3.5 m 60.98 42.33 12.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 -117.33 109.0 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.602 HD13 HG21 ' A' ' 23' ' ' ILE . 4.8 pt -98.66 157.53 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.94 112.58 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.504 HD21 HD11 ' A' ' 27' ' ' ILE . 14.9 mt -76.87 143.44 39.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -131.31 119.69 22.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.3 p -59.61 149.86 29.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.33 -27.89 61.12 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -60.49 -38.69 85.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.2 42.57 0.29 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -145.93 164.56 31.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.899 0.381 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -96.8 140.15 31.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.404 HD11 ' CE2' ' A' ' 64' ' ' PHE . 75.7 mt -74.31 106.98 6.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -117.6 126.96 7.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.522 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.4 pt -72.05 133.56 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 111.096 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -78.37 172.79 13.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t -60.33 -31.58 70.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.06 -35.95 48.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.831 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 118.55 36.31 0.92 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 133' ' ' GLU . 3.0 tp -108.27 138.19 44.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.02 103.8 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.05 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.3 m -122.61 176.07 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -155.62 93.05 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.573 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -141.87 35.8 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.807 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.08 160.22 32.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -121.39 31.95 6.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.47 -179.86 7.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -110.83 97.91 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.79 174.39 21.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.545 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.54 -51.25 11.56 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.596 2.198 . . . . 0.0 112.325 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -59.77 -28.9 67.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.41 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 3.0 mp0 -77.28 -25.7 51.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.15 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -57.89 146.85 30.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.114 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.41 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 96.1 m95 -131.09 -179.95 5.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.786 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -161.8 90.16 1.45 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.7 170.21 17.02 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.537 2.158 . . . . 0.0 112.241 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.4 t -146.93 156.98 10.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.466 ' CZ ' HD11 ' A' ' 23' ' ' ILE . 83.7 m-85 -149.69 114.37 5.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -145.84 132.94 20.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 57.9 25.26 11.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.99 -29.67 9.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.559 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -67.79 179.3 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 110.976 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.429 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 5.3 ptp -167.21 128.89 1.61 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.31 128.84 30.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.7 tp -78.74 121.16 24.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 21.8 tp -101.94 121.62 42.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.72 170.23 12.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.2 t -73.09 -8.41 55.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.334 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -95.97 25.5 4.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.764 0.316 . . . . 0.0 111.167 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 m 55.51 30.5 15.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.156 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.1 m -140.29 127.35 20.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -60.53 -179.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.628 HD11 HD13 ' A' ' 145' ' ' ILE . 2.2 pp -116.57 156.8 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.41 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 0.1 OUTLIER -176.3 153.95 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.663 ' SG ' HD13 ' A' ' 47' ' ' LEU . 18.4 p -97.49 174.29 6.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -128.84 179.76 5.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -81.78 -36.76 28.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.89 69.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 115.42 31.52 1.98 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.563 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -120.74 116.02 24.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.842 HD12 ' HB3' ' A' ' 45' ' ' PHE . 30.8 mt -95.36 96.58 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.43 ' HB3' HD12 ' A' ' 91' ' ' LEU . 6.9 pt-20 -117.18 167.39 11.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -81.86 130.38 35.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -84.9 171.02 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -63.28 179.28 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -34.14 73.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.54 107.54 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -90.63 132.27 35.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -111.88 -179.99 19.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.535 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.81 -32.25 73.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.83 -31.53 63.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -65.19 -29.49 70.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.008 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.9 mmt -58.35 137.19 57.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.628 HD13 HD11 ' A' ' 124' ' ' ILE . 13.1 pt -126.85 168.97 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -121.79 103.16 8.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.47 ' O ' HG22 ' A' ' 17' ' ' VAL . 23.3 mt -87.83 117.81 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -104.48 169.79 8.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 31.2 t -140.37 152.89 46.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . 0.404 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 26.5 p -136.08 31.36 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -83.25 -176.75 6.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -84.7 98.8 10.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . 0.411 ' HD3' ' CD1' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -67.05 171.89 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -96.74 65.44 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 20.0 p . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.972 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 m -161.97 -51.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.27 144.27 26.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.33 -136.45 2.26 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -150.21 97.8 2.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.43 168.99 0.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.67 153.47 5.94 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.893 HD13 ' N ' ' A' ' 9' ' ' ASP . 2.3 tm? -73.87 141.29 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.893 ' N ' HD13 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -59.52 117.25 4.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 tt -151.69 128.07 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.9 99.59 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.79 -83.98 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.418 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.423 HG13 ' CD1' ' A' ' 14' ' ' TRP . 19.8 pt -143.35 30.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 111.136 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.423 ' CD1' HG13 ' A' ' 13' ' ' ILE . 61.2 m95 -137.08 130.68 31.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -130.56 134.02 46.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 84.8 m -62.36 123.54 18.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.3 m -65.68 179.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -127.01 -44.87 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -124.63 -178.76 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.644 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 66.7 t80 -72.2 -35.64 68.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.12 -27.34 59.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.588 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.5 -30.14 61.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.498 HG23 HD13 ' A' ' 27' ' ' ILE . 32.1 mt -68.73 97.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 83.8 p -156.91 142.2 17.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.48 -128.6 8.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 m -93.96 136.58 34.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.544 ' CD1' ' HB2' ' A' ' 66' ' ' ALA . 33.7 pt -149.34 141.31 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.46 131.83 54.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.567 ' HB ' HD12 ' A' ' 37' ' ' ILE . 20.1 mt -105.65 127.75 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -108.79 124.85 51.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.457 ' HE3' HD12 ' A' ' 124' ' ' ILE . 12.7 mtp -99.64 -48.93 4.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.91 179.97 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.813 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 85.41 4.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.795 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.23 -29.72 10.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.424 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.81 161.13 27.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.997 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -140.41 154.84 46.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.567 HD12 ' HB ' ' A' ' 29' ' ' ILE . 4.9 mt -62.37 105.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -88.68 152.14 22.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -112.69 126.05 54.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 40' ' ' LEU . 22.9 mt -86.17 174.83 8.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -94.94 -34.9 12.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -60.18 -31.45 70.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.99 40.25 0.42 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.528 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mt -140.91 179.96 6.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -140.43 119.49 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 t -117.58 161.45 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.549 HD13 ' SG ' ' A' ' 126' ' ' CYS . 14.7 tp -60.19 111.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.93 145.38 43.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.77 134.46 95.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.567 0.223 . . . . 0.0 111.054 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.8 150.5 78.86 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.461 2.107 . . . . 0.0 112.28 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -95.69 132.26 41.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -62.36 -51.21 68.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -72.54 151.77 42.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.6 t -81.1 -30.45 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -95.1 44.41 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -107.88 111.54 23.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.02 161.0 47.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.14 168.99 20.45 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.601 2.201 . . . . 0.0 112.326 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.416 ' HB3' ' HD2' ' A' ' 61' ' ' PRO . 55.2 m -99.91 163.17 18.92 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.685 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.544 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 78.2 Cg_exo -48.93 -51.04 11.26 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.455 2.103 . . . . 0.0 112.846 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 37.2 Cg_endo -65.57 -25.49 54.94 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.096 1.864 . . . . 0.0 112.223 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -85.51 -31.29 22.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -68.06 155.94 38.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.415 ' CE1' HD11 ' A' ' 84' ' ' LEU . 98.3 m-85 -134.62 163.01 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 m -126.8 134.17 50.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.544 ' HB2' ' CD1' ' A' ' 27' ' ' ILE . . . -94.44 165.19 12.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -151.98 101.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -60.92 119.79 8.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.812 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.446 HD11 ' HB2' ' A' ' 75' ' ' ALA . 91.5 mt -112.42 -73.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.99 157.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 59.31 33.6 22.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.428 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 14.7 m 60.58 39.04 18.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.72 114.57 22.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.644 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 9.6 pt -105.3 149.75 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.16 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.446 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -102.21 100.82 11.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 105' ' ' TRP . 30.7 mt -61.02 160.26 10.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -156.65 118.76 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 64.9 p -67.94 154.99 40.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.61 -30.82 69.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -59.92 -30.61 69.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.58 38.18 1.11 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.45 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -130.34 161.73 30.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -96.6 124.22 40.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.473 ' HA ' HD23 ' A' ' 84' ' ' LEU . 12.2 mt -66.04 120.02 12.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.844 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -135.52 157.6 23.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.403 HG23 ' CH2' ' A' ' 105' ' ' TRP . 1.4 pt -111.37 141.71 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -72.5 171.07 13.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.805 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.1 -33.99 72.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.88 -33.27 65.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 123.06 45.67 0.29 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.514 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 tp -125.35 120.32 30.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.4 HG22 HG22 ' A' ' 86' ' ' ILE . 19.6 t -73.03 109.38 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.7 m -134.54 139.97 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.063 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -110.65 90.17 0.57 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -158.44 45.09 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.3 t -112.2 -37.57 4.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 60.97 33.92 19.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -160.45 165.2 31.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.073 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.3 mt -95.86 84.32 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.27 166.71 24.53 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.566 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.46 -36.63 70.66 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.557 2.171 . . . . 0.0 112.314 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -74.31 -31.07 62.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.411 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 8.5 mp0 -65.38 -30.07 70.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.99 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -64.97 141.08 58.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.541 ' CD1' HD12 ' A' ' 76' ' ' LEU . 86.7 m95 -124.75 143.76 50.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -114.87 91.79 27.64 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.008 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.53 125.26 12.55 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.47 2.114 . . . . 0.0 112.215 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 109' ' ' PHE . 19.1 t -97.13 159.79 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.485 ' N ' HG12 ' A' ' 108' ' ' VAL . 61.7 m-85 -146.53 125.03 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.81 117.29 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.97 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 57.67 34.42 24.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.035 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.06 -38.94 2.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -58.36 176.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 6.0 ptp -160.29 152.76 20.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -151.57 128.28 10.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.501 HD21 HD11 ' A' ' 76' ' ' LEU . 17.3 tp -77.56 112.97 14.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.0 tp -98.48 132.2 44.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.604 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -77.07 168.05 20.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 44.2 t -66.76 -13.8 61.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.224 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.604 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 34.5 p30 -94.44 22.53 6.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.246 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.3 m 55.12 33.77 21.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.847 0.356 . . . . 0.0 111.051 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 56.7 m -130.95 130.99 44.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.466 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 22.4 m-85 -65.65 -179.98 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.457 HD12 ' HE3' ' A' ' 31' ' ' MET . 14.9 pt -126.71 162.57 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.133 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -176.47 143.91 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.549 ' SG ' HD13 ' A' ' 47' ' ' LEU . 26.4 p -85.83 147.76 26.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -94.14 171.81 8.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -31.28 72.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.33 -34.79 21.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.065 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 135.24 -23.88 3.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.644 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -57.01 109.01 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.789 0.328 . . . . 0.0 110.984 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.7 mt -88.38 119.67 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -128.79 175.11 8.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -101.29 115.74 31.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.43 167.43 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -59.49 178.34 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -59.05 -24.92 63.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 12.1 p -55.03 107.18 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.466 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -87.11 112.7 22.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -94.93 178.44 36.14 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.558 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.63 -37.68 88.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.34 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -73.55 -31.49 63.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.19 -31.05 69.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 29.8 mmt -59.68 116.83 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 4.3 pt -110.07 169.86 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -130.39 94.32 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 19.6 mt -75.37 118.35 21.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.135 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -108.64 154.75 21.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.522 ' HB2' HG22 ' A' ' 27' ' ' ILE . 10.7 t -132.44 134.32 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . 0.402 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 26.7 p -99.62 36.67 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -81.98 171.74 14.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -66.18 102.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -61.13 -177.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.15 93.59 6.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.91 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.38 -174.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -67.04 159.82 27.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.87 93.61 1.75 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -90.03 143.57 26.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 t -144.56 87.28 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.14 -153.86 7.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 tp -133.1 148.8 52.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 0.0 110.959 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.78 116.72 29.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.424 HD11 HH11 ' A' ' 153' ' ' ARG . 1.9 tt -120.93 130.09 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.617 HG13 ' HA ' ' A' ' 55' ' ' ASP . 22.0 t -120.69 88.86 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.06 -81.1 0.25 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.416 HG13 ' CD1' ' A' ' 14' ' ' TRP . 27.9 pt -133.01 31.11 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.354 . . . . 0.0 111.102 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.416 ' CD1' HG13 ' A' ' 13' ' ' ILE . 68.8 m95 -135.8 116.37 13.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.468 ' HZ2' ' HB3' ' A' ' 151' ' ' ALA . 51.1 p-90 -114.85 139.24 49.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.4 m -64.19 128.86 37.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.4 m -63.55 164.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.39 -31.99 7.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -162.04 -178.74 6.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.786 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 22.0 t80 -57.84 -40.24 79.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.09 -26.04 41.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.663 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -84.65 -31.04 24.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.527 HG21 HD13 ' A' ' 74' ' ' ILE . 36.5 mt -74.26 105.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.048 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.1 t -172.75 93.15 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.61 -158.83 22.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.3 m -66.37 117.2 8.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.722 0.296 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.618 HD11 HD21 ' A' ' 76' ' ' LEU . 2.0 pp -139.48 163.51 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.04 162.61 24.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.436 HG23 HD12 ' A' ' 145' ' ' ILE . 2.8 mp -132.48 128.13 57.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -108.84 111.85 23.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.511 ' CE ' HD12 ' A' ' 124' ' ' ILE . 6.8 mtt -86.52 -46.26 10.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.63 178.89 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -88.41 80.15 7.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.54 -27.39 6.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.488 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.35 167.5 11.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.845 0.355 . . . . 0.0 111.074 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -141.43 169.95 16.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.7 mt -75.29 118.23 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -106.66 151.24 25.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.38 167.26 10.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.0 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.4 mt -135.48 145.09 46.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -65.15 -31.33 72.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -60.01 -31.77 70.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.08 36.39 0.95 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.521 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.5 mt -140.69 158.78 43.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.424 ' CE2' HD21 ' A' ' 84' ' ' LEU . 42.7 m-85 -119.59 125.67 49.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.4 t -124.07 167.09 14.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.2 tp -79.7 110.11 14.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.66 173.35 4.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.15 140.52 49.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.656 0.265 . . . . 0.0 111.053 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.61 126.6 11.62 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.494 2.129 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -61.82 158.74 15.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.95 -64.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -76.08 157.97 32.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -76.57 -54.51 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.617 ' HA ' HG13 ' A' ' 11' ' ' VAL . 11.5 t70 -74.37 77.06 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -140.95 134.09 29.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.25 148.91 28.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.42 158.9 55.69 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.661 2.241 . . . . 0.0 112.418 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.405 ' HB3' ' HD2' ' A' ' 61' ' ' PRO . 0.3 OUTLIER -72.57 159.46 85.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.54 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 58.0 Cg_exo -49.96 -52.07 9.62 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.456 2.104 . . . . 0.0 112.776 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 35.9 Cg_endo -64.66 -24.94 62.0 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.18 1.92 . . . . 0.0 112.282 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -77.1 -31.72 56.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -66.3 137.27 56.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.45 ' CE1' HD11 ' A' ' 84' ' ' LEU . 77.7 m-85 -118.27 161.96 19.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.23 124.35 48.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.06 130.91 53.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.2 t -127.74 136.75 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -72.11 154.75 40.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.593 HD11 ' HB2' ' A' ' 75' ' ' ALA . 75.4 mt -138.06 -75.2 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.4 p 179.93 150.51 0.37 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.34 38.34 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.029 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.433 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER 62.01 35.35 16.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -112.67 120.76 42.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.786 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 16.4 pt -112.36 150.13 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.593 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -106.93 128.25 54.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.031 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.618 HD21 HD11 ' A' ' 27' ' ' ILE . 15.0 mt -94.82 156.71 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -147.84 134.14 19.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.789 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.3 p -70.87 160.99 31.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.987 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.63 -28.59 72.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -64.78 -42.64 94.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.06 42.82 0.21 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.544 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -137.86 137.61 38.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -78.49 129.52 34.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 76' ' ' LEU . 85.1 mt -64.64 106.37 1.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -115.08 139.62 15.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.585 HD13 ' OD1' ' A' ' 120' ' ' ASN . 1.6 pt -85.51 156.82 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 111.125 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -108.0 166.63 10.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 p -62.37 -38.95 91.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.02 -31.53 72.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 112.39 28.54 3.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.549 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tp -106.39 138.18 43.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -83.23 110.45 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.4 m -128.49 163.15 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.45 80.25 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -132.56 35.81 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -139.28 131.84 28.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -98.96 31.48 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -121.06 -175.52 3.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.2 mt -131.74 84.09 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.172 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.95 -160.29 21.7 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 -42.22 3.68 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.577 2.185 . . . . 0.0 112.378 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.72 -32.82 74.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.402 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 12.3 mp0 -73.74 -27.73 61.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.974 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -62.98 167.25 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.016 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.412 ' HB3' HD11 ' A' ' 116' ' ' LEU . 86.3 m95 -150.92 168.54 24.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -144.4 93.76 5.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.22 147.6 66.7 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.521 2.147 . . . . 0.0 112.232 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.0 t -132.72 150.19 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.17 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -127.4 139.19 53.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.773 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -149.96 104.66 3.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 58.35 42.9 20.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.37 -44.32 2.46 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.457 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -58.76 172.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.82 146.66 23.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -143.04 124.42 14.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 105' ' ' TRP . 40.8 tp -76.45 105.19 7.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.0 tp -88.05 129.7 35.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.508 ' HB1' HG21 ' A' ' 86' ' ' ILE . . . -72.82 163.85 27.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.4 t -66.26 -15.42 63.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.27 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.585 ' OD1' HD13 ' A' ' 86' ' ' ILE . 9.5 p-10 -95.95 26.3 4.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.704 0.288 . . . . 0.0 111.174 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.1 p 55.83 44.76 25.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 111.05 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.689 ' HB3' ' HB1' ' A' ' 134' ' ' ALA . 91.1 m -137.83 133.28 33.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -81.73 122.74 28.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.511 HD12 ' CE ' ' A' ' 31' ' ' MET . 1.2 pt -61.91 159.79 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -171.27 174.29 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.0 p -115.14 165.95 12.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -126.03 152.98 45.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.04 -31.36 69.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.59 -42.77 61.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.084 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 127.67 44.65 0.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -130.19 118.43 21.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 29.9 mm -92.05 99.29 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -123.32 173.75 7.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.689 ' HB1' ' HB3' ' A' ' 122' ' ' CYS . . . -96.95 130.83 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.44 -179.9 5.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.787 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.23 172.55 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -60.66 -31.86 71.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 14.3 p -59.82 115.45 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.701 ' HB1' ' CE ' ' A' ' 144' ' ' MET . . . -94.75 111.62 23.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -90.43 174.6 40.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -60.14 -33.07 71.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -76.56 -37.11 57.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -61.61 -29.5 70.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.701 ' CE ' ' HB1' ' A' ' 139' ' ' ALA . 37.6 mmt -58.53 132.66 54.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.436 HD12 HG23 ' A' ' 29' ' ' ILE . 9.0 pt -119.28 179.98 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -136.57 101.88 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 20.7 mt -83.84 134.75 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.176 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 31.1 mtt-85 -130.49 133.14 46.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.485 ' HA ' HG22 ' A' ' 27' ' ' ILE . 38.6 t -98.3 165.03 12.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 26.3 p -121.74 31.63 6.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.468 ' HB3' ' HZ2' ' A' ' 15' ' ' TRP . . . -80.71 -177.64 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -86.92 110.13 19.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . 0.424 HH11 HD11 ' A' ' 10' ' ' ILE . 7.3 mtm180 -60.1 -179.49 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -103.52 32.68 3.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.909 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 112.421 -0.272 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -139.52 160.21 40.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.3 m -134.58 93.71 3.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.04 39.46 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.6 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -113.77 -31.74 6.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.813 0.339 . . . . 0.0 110.964 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.14 96.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.45 136.03 27.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 tp -104.21 81.72 1.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.814 0.34 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -60.0 110.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 tt -113.17 129.31 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.2 101.12 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.8 -79.92 0.25 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.404 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.1 pp -143.2 30.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 111.082 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.404 ' CD1' HG13 ' A' ' 13' ' ' ILE . 34.3 m95 -135.07 136.92 42.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -117.73 117.58 29.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.3 m -60.02 134.48 57.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.622 HG12 ' HB3' ' A' ' 22' ' ' GLU . 13.0 m -83.51 169.02 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.8 t -126.89 -45.22 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -112.1 176.14 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.457 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 79.3 t80 -71.83 -31.74 66.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.67 -28.05 62.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.556 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.622 ' HB3' HG12 ' A' ' 17' ' ' VAL . 61.0 mm-40 -70.96 -28.93 64.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.723 0.297 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.806 HG21 HG21 ' A' ' 74' ' ' ILE . 36.5 mm -60.3 103.32 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 p -171.69 140.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.53 -163.51 48.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.519 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.0 m -69.83 130.15 41.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.753 0.311 . . . . 0.0 110.81 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.545 HG12 ' HB2' ' A' ' 66' ' ' ALA . 2.6 pp -144.68 153.18 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.87 147.0 40.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.043 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.441 ' CG2' HD12 ' A' ' 145' ' ' ILE . 2.0 mp -119.9 112.16 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.06 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 27.7 tt0 -93.89 118.83 31.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.767 ' HE2' HD12 ' A' ' 124' ' ' ILE . 12.5 mtt -84.51 -63.43 1.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.94 175.43 6.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -74.05 81.68 1.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.05 -27.85 7.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.467 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.72 ' HB1' ' HG ' ' A' ' 47' ' ' LEU . . . -90.06 140.98 29.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.731 0.301 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.41 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 43.7 m-85 -126.8 159.59 33.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.809 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.414 HG23 HG13 ' A' ' 132' ' ' ILE . 11.8 mt -70.47 107.56 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -90.87 143.81 26.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.51 145.19 27.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.7 mt -120.86 136.05 55.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.36 -29.52 69.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -57.45 -27.39 62.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.056 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.25 30.79 2.0 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 mt -137.89 -179.94 6.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.578 ' CE2' HD21 ' A' ' 84' ' ' LEU . 29.0 m-85 -141.75 129.73 21.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.9 t -135.47 161.62 34.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.72 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 7.6 tp -72.11 110.83 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.038 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.82 162.24 16.58 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.458 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.27 143.2 98.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.643 0.258 . . . . 0.0 111.132 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.44 146.5 44.79 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.59 2.193 . . . . 0.0 112.277 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -80.08 158.96 26.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -74.49 -48.47 27.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -98.69 133.88 42.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.78 -49.72 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -74.1 68.72 1.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -143.61 146.1 33.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.95 152.99 32.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.466 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.71 154.99 70.27 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.566 2.178 . . . . 0.0 112.372 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.55 159.66 66.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.578 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 76.8 Cg_exo -49.18 -49.56 15.07 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.641 2.227 . . . . 0.0 112.793 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 36.2 Cg_endo -65.49 -22.86 58.42 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.136 1.891 . . . . 0.0 112.277 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -83.63 -31.06 26.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.863 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -65.24 114.58 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.458 ' CE1' HD11 ' A' ' 84' ' ' LEU . 89.5 m-85 -101.36 173.08 6.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.74 136.98 52.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.545 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -105.11 144.95 31.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.003 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.578 ' HB ' ' HB3' ' A' ' 75' ' ' ALA . 21.4 t -141.8 110.33 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.439 ' HE3' ' CE2' ' A' ' 20' ' ' PHE . 7.9 mtpt -69.5 109.38 4.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' A' ' 75' ' ' ALA . 15.5 mt -90.94 -69.82 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.01 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.7 m 179.93 162.34 0.98 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 58.18 36.91 26.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.43 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 0.1 OUTLIER 60.75 32.74 20.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -114.8 130.08 56.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.806 HG21 HG21 ' A' ' 23' ' ' ILE . 16.9 pt -109.88 165.94 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.189 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.613 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -121.01 106.78 11.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.501 ' HB3' HD12 ' A' ' 84' ' ' LEU . 12.9 mt -74.12 141.65 45.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -139.77 129.12 24.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.15 160.77 30.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.65 -29.3 71.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.513 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -62.22 -30.43 71.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.706 0.289 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.03 31.21 2.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -125.83 149.05 48.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -88.98 133.85 34.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.578 HD21 ' CE2' ' A' ' 45' ' ' PHE . 20.1 mt -69.87 147.86 49.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.17 159.56 32.41 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.565 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.619 HG22 HG22 ' A' ' 92' ' ' VAL . 6.3 pt -105.97 144.41 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 111.155 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -80.87 178.65 8.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -66.02 -30.95 71.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.5 -39.19 47.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 141.04 -20.74 2.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.633 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.441 HD23 HG13 ' A' ' 93' ' ' VAL . 0.4 OUTLIER -57.13 143.8 37.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 0.0 111.029 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.619 HG22 HG22 ' A' ' 86' ' ' ILE . 28.0 t -98.44 111.4 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.057 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.441 HG13 HD23 ' A' ' 91' ' ' LEU . 30.2 m -120.4 176.82 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -145.51 86.96 0.17 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.07 54.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.924 0.393 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.2 t -116.96 -39.91 3.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 61.53 31.76 18.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -167.29 168.93 12.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.045 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.484 HD13 HD22 ' A' ' 69' ' ' LEU . 31.6 mt -89.28 131.95 35.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.77 164.92 28.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.82 -45.48 40.36 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.565 2.177 . . . . 0.0 112.316 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -73.35 -41.34 63.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.401 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 0.7 OUTLIER -59.83 -29.66 68.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.982 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -63.05 165.48 6.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.419 ' CE3' ' HA ' ' A' ' 118' ' ' ALA . 81.7 m95 -143.77 179.61 7.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -160.95 94.04 1.47 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.98 141.39 44.2 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.434 2.089 . . . . 0.0 112.243 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.94 127.45 74.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.426 ' CD2' ' HB3' ' A' ' 114' ' ' MET . 5.3 m-85 -116.1 125.97 53.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.05 131.44 14.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.35 45.3 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 62.91 28.13 71.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -125.05 -179.94 4.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.791 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.426 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 2.4 ptp -153.49 156.25 37.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -167.55 112.08 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.686 ' H ' HD11 ' A' ' 145' ' ' ILE . 12.7 tp -63.79 128.5 36.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.0 tp -110.73 125.09 53.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.419 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -68.78 168.53 13.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.5 t -68.56 -12.25 61.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.244 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -94.92 24.01 5.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.167 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 55.55 30.92 16.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.829 0.347 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.559 ' HB3' ' HB1' ' A' ' 134' ' ' ALA . 7.2 m -133.02 126.57 32.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.55 ' CD2' ' HB2' ' A' ' 139' ' ' ALA . 68.1 m-85 -60.59 176.73 0.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.767 HD12 ' HE2' ' A' ' 31' ' ' MET . 12.3 pt -102.87 156.78 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -163.09 155.84 18.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.622 ' CB ' HD13 ' A' ' 47' ' ' LEU . 7.2 p -110.21 126.54 54.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -75.39 165.13 25.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.45 -31.44 53.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.42 -39.09 65.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.032 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 129.9 55.14 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -149.13 117.25 6.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.414 HG13 HG23 ' A' ' 37' ' ' ILE . 28.8 mm -81.17 104.15 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.147 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.72 175.16 5.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.559 ' HB1' ' HB3' ' A' ' 122' ' ' CYS . . . -96.81 136.99 36.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.91 164.24 12.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.771 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -55.55 172.53 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.01 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -59.3 -46.93 87.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 61.8 p -60.52 99.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.55 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . . . -86.29 119.14 26.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.045 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -71.84 176.76 39.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -64.2 -35.79 81.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -83.44 -27.06 29.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -28.07 54.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.019 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.5 mmt -58.01 154.28 12.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.718 HD13 HD11 ' A' ' 124' ' ' ILE . 22.1 pt -135.26 177.5 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -131.82 114.55 14.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 3.3 mt -96.99 113.75 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.103 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -103.17 145.34 30.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.526 ' HA ' HG22 ' A' ' 27' ' ' ILE . 41.5 t -119.0 153.44 34.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 11.6 p -126.51 35.8 4.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.61 147.02 24.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -60.28 115.71 3.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.57 132.89 43.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -149.2 37.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 36.6 p . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.943 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 N-CA-C 112.589 -0.204 . . . . 0.0 112.589 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -168.17 123.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t 60.48 166.32 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.47 -45.52 1.63 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -159.44 -48.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.901 0.381 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -114.87 -176.06 2.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.38 100.83 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.525 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.8 tp -87.29 86.02 7.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.36 121.37 17.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 15' ' ' TRP . 5.0 tt -133.4 125.72 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.56 95.38 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.129 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.45 -69.85 0.52 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.531 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.412 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.8 pt -149.45 30.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.373 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.412 ' CD1' HG13 ' A' ' 13' ' ' ILE . 84.8 m95 -135.65 103.29 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.453 ' HB3' HD12 ' A' ' 10' ' ' ILE . 57.2 p-90 -100.4 129.85 46.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.5 m -68.64 133.08 47.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.969 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.724 HG21 HG12 ' A' ' 23' ' ' ILE . 10.4 m -72.4 152.35 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -111.2 -32.88 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -122.46 -178.4 3.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.616 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 28.7 t80 -80.54 -33.85 35.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.88 -28.07 72.17 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.539 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' HB3' HG12 ' A' ' 17' ' ' VAL . 4.3 mm-40 -71.47 -34.12 69.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.724 HG12 HG21 ' A' ' 17' ' ' VAL . 31.1 mt -71.07 106.41 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -168.44 130.6 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.45 -156.4 28.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.3 m -60.16 132.83 55.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.479 HD11 HD21 ' A' ' 76' ' ' LEU . 2.4 pt -144.73 174.51 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.41 111.32 6.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.49 HG22 ' N ' ' A' ' 30' ' ' GLU . 3.4 mt -88.63 158.39 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.037 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.49 ' N ' HG22 ' A' ' 29' ' ' ILE . 42.3 tt0 -143.18 103.38 4.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.768 ' HA ' HG22 ' A' ' 145' ' ' ILE . 15.7 mtt -69.21 -75.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.52 179.97 6.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -77.82 80.36 4.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.44 -28.17 7.64 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.574 ' HB1' ' HG ' ' A' ' 47' ' ' LEU . . . -77.8 145.38 36.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.785 0.326 . . . . 0.0 111.172 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -123.12 167.3 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.5 mt -84.29 112.12 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -93.63 150.72 20.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -107.59 146.4 31.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.526 HD12 ' HB2' ' A' ' 44' ' ' LEU . 89.9 mt -114.33 151.26 33.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -74.08 -34.44 64.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -59.65 -30.33 68.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.48 37.77 0.71 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.528 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.526 ' HB2' HD12 ' A' ' 40' ' ' LEU . 4.2 mt -140.82 179.99 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.492 ' CE2' HD21 ' A' ' 84' ' ' LEU . 42.6 m-85 -140.55 137.9 34.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.9 t -135.75 161.15 36.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.574 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 12.4 tp -68.56 124.91 24.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.56 155.36 39.42 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.01 114.07 16.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.547 0.213 . . . . 0.0 111.076 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.455 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 63.0 Cg_exo -51.37 177.04 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.438 2.092 . . . . 0.0 112.42 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -110.42 144.61 38.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -71.83 -54.32 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.49 147.37 49.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.67 -34.99 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -108.29 92.38 4.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.58 131.35 21.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.26 147.61 25.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.426 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.49 157.6 58.49 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.542 2.161 . . . . 0.0 112.398 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.41 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . 21.0 m -80.3 162.95 59.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.681 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.491 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 41.8 Cg_exo -55.27 -45.89 36.85 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.495 2.13 . . . . 0.0 112.639 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 60' ' ' PRO . 50.7 Cg_exo -52.22 -27.53 30.53 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.537 2.158 . . . . 0.0 112.331 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.422 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 8.3 mt-10 -91.03 -23.78 20.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -64.27 116.0 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 111.015 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.534 ' CE1' HD11 ' A' ' 84' ' ' LEU . 95.4 m-85 -104.44 -179.98 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.89 120.71 16.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.77 153.02 18.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.9 130.13 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -70.72 146.96 49.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.597 HD11 ' HB2' ' A' ' 75' ' ' ALA . 42.5 mt -134.56 -72.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.7 p 179.93 153.63 0.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.06 37.37 26.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.986 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m 61.21 31.11 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mmm-85 -106.99 112.82 25.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.616 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 4.4 pt -102.48 158.15 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.19 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.597 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -114.68 122.78 47.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.082 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.86 ' HB3' HD12 ' A' ' 84' ' ' LEU . 15.8 mt -88.22 154.34 20.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.0 129.26 23.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.414 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . 99.1 p -65.15 150.44 48.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.31 -26.65 56.77 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.608 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -68.96 -38.18 79.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 140.31 -15.97 2.96 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.708 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -81.24 173.5 12.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.806 0.336 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -109.81 143.02 40.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.86 HD12 ' HB3' ' A' ' 76' ' ' LEU . 35.2 mt -76.69 115.32 16.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.831 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.73 121.66 2.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.551 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.718 HD13 ' ND2' ' A' ' 120' ' ' ASN . 2.5 pp -70.28 121.54 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.34 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.64 174.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.8 -39.85 63.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.5 -29.49 67.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 115.8 30.81 2.07 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.55 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 133' ' ' GLU . 5.4 tp -116.77 129.65 56.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.33 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.421 HG22 HG22 ' A' ' 86' ' ' ILE . 22.2 t -75.73 115.86 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.3 m -135.6 -179.93 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.52 99.01 0.18 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.559 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -149.7 49.12 0.94 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 m -145.44 143.78 30.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.976 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.59 31.4 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -144.47 161.4 39.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.8 mt -94.99 96.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -93.63 163.45 26.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.449 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.5 -41.12 69.85 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.59 2.193 . . . . 0.0 112.26 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.0 mtt-85 -67.45 -29.69 69.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.001 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.47 -27.75 64.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -58.67 135.64 57.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.567 ' CD1' HD12 ' A' ' 76' ' ' LEU . 86.0 m95 -120.77 136.92 54.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -110.19 93.22 14.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.043 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.0 165.09 32.42 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.446 2.097 . . . . 0.0 112.201 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -150.1 151.72 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.226 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -129.96 119.17 22.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -138.22 115.82 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 59.33 29.81 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.08 -35.73 4.21 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.547 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -69.51 -179.99 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.745 0.307 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.2 ptp -163.79 156.79 18.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -151.43 120.5 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.066 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.627 ' HB2' HD11 ' A' ' 145' ' ' ILE . 0.6 OUTLIER -68.85 122.8 19.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.9 tp -105.9 123.24 47.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.47 165.24 6.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.039 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.6 t -69.68 -13.05 62.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.371 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.718 ' ND2' HD13 ' A' ' 86' ' ' ILE . 40.7 p30 -96.25 26.43 4.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.758 0.313 . . . . 0.0 111.186 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.5 m 55.97 47.2 20.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.03 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.512 ' HB2' ' HB1' ' A' ' 134' ' ' ALA . 74.7 m -147.63 123.44 10.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -66.17 152.63 44.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.716 HD11 HD13 ' A' ' 145' ' ' ILE . 39.6 pt -80.17 158.42 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -173.64 143.57 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.55 ' SG ' HD13 ' A' ' 47' ' ' LEU . 30.4 p -103.66 153.1 21.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -95.6 161.99 13.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -31.28 66.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.931 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.51 -49.97 13.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 144.08 62.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -154.63 107.16 2.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.6 mt -87.12 113.38 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.503 ' HB3' HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -128.2 167.39 16.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 122' ' ' CYS . . . -77.98 101.44 6.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.05 173.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.97 168.79 1.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -61.76 -31.31 71.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 20.5 p -67.63 115.97 7.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -95.87 108.94 21.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.57 176.99 44.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -60.41 -50.34 73.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -67.45 -29.28 68.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.041 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -30.22 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.9 mmt -59.99 116.14 3.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.768 HG22 ' HA ' ' A' ' 31' ' ' MET . 45.5 pt -98.93 172.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.186 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -129.88 108.39 10.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.479 ' O ' HG22 ' A' ' 17' ' ' VAL . 25.3 mt -84.61 121.74 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 10.4 mtt-85 -102.04 175.52 5.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 44.7 t -152.61 150.29 29.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . 0.41 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 28.5 p -126.32 34.95 4.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -74.92 -174.84 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -100.67 110.28 22.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 21.0 mtm105 -85.56 140.2 30.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -139.33 77.32 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.933 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.66 -71.97 0.12 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.815 0.341 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 60.45 80.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.98 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.38 -134.3 36.1 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.556 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 p -126.72 148.01 49.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -130.82 143.2 50.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.46 102.71 1.85 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.472 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.67 144.27 31.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -129.7 93.48 3.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.513 HD12 ' HB3' ' A' ' 15' ' ' TRP . 10.1 tt -99.91 128.4 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.088 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -121.93 97.97 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.53 -90.18 0.94 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.388 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.426 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.2 pt -132.51 31.19 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 111.066 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.426 ' CD1' HG13 ' A' ' 13' ' ' ILE . 64.9 m95 -138.56 121.3 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.513 ' HB3' HD12 ' A' ' 10' ' ' ILE . 48.7 p-90 -117.66 139.06 51.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.458 HG21 ' HE2' ' A' ' 146' ' ' LYS . 0.3 OUTLIER -70.67 128.02 34.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 m -65.39 164.16 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.4 t -104.23 -38.59 6.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -149.56 179.28 8.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 72' ' ' SER . 81.0 t80 -58.16 -43.2 87.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.051 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.54 -24.52 39.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.632 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -81.43 -29.87 33.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.4 mt -68.92 102.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 m -160.84 116.75 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.66 -155.36 17.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 m -69.14 125.55 27.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.344 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.3 pt -140.76 159.15 24.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.0 151.18 49.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.472 HD11 ' CD1' ' A' ' 76' ' ' LEU . 4.6 mt -112.71 141.96 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -133.35 105.0 6.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.9 mtp -75.58 -60.73 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.666 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 0.9 OUTLIER -90.95 163.4 14.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -73.61 82.44 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.5 -29.6 5.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . . . -89.5 153.96 20.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -136.66 160.48 38.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.9 mt -73.53 107.78 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -87.46 154.79 20.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.419 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -110.38 155.57 21.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 39' ' ' ALA . 76.9 mt -130.6 131.81 45.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -60.03 -30.25 69.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -57.87 -28.36 64.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.38 32.94 1.4 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 mt -141.69 166.79 23.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CE2' HD21 ' A' ' 84' ' ' LEU . 14.7 m-85 -129.54 123.04 30.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.481 ' C ' HD11 ' A' ' 132' ' ' ILE . 2.9 t -116.22 171.7 7.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.792 HD13 ' SG ' ' A' ' 126' ' ' CYS . 17.0 tp -89.22 111.25 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.82 137.63 39.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.5 150.56 73.58 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.707 0.289 . . . . 0.0 111.087 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.06 137.25 40.37 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.613 2.209 . . . . 0.0 112.311 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -60.4 163.77 4.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -78.57 -34.44 46.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -91.28 161.8 14.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.78 -65.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -79.8 88.81 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.34 161.13 38.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -108.01 168.51 13.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.91 170.5 15.41 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.583 2.189 . . . . 0.0 112.359 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.38 168.32 11.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.541 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 50.9 Cg_exo -52.32 -48.64 20.76 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.602 2.202 . . . . 0.0 112.693 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 57.0 Cg_endo -70.88 -19.6 30.57 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.25 1.966 . . . . 0.0 112.435 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -86.1 -29.56 23.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.006 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -58.76 145.68 39.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.421 ' CE1' HD11 ' A' ' 84' ' ' LEU . 56.4 m-85 -133.18 159.91 38.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.1 m -120.98 130.49 53.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.43 142.69 27.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -137.83 114.02 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.19 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -67.26 135.04 52.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.498 HD11 ' HB2' ' A' ' 75' ' ' ALA . 10.8 mt -122.9 -72.21 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.81 154.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 t0 55.58 42.57 29.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 0.7 OUTLIER 59.98 29.88 19.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -105.18 120.9 42.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.9 pt -120.12 143.16 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.498 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -108.1 120.98 43.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.06 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.472 ' CD1' HD11 ' A' ' 29' ' ' ILE . 74.6 mt -75.03 173.09 11.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -154.57 117.52 4.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.9 p -62.97 146.59 52.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.34 -28.09 61.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.572 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -63.99 -39.03 93.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.325 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.47 43.26 0.25 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.521 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -139.75 176.51 8.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -111.02 131.93 54.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.565 HD21 ' CE2' ' A' ' 45' ' ' PHE . 82.3 mt -75.72 111.72 11.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.49 127.0 3.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.542 HD13 ' ND2' ' A' ' 120' ' ' ASN . 2.5 pp -63.65 162.46 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -101.31 172.42 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.1 p -62.52 -33.35 74.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.43 -45.54 53.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 128.57 42.34 0.25 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.551 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.8 tp -122.13 121.47 36.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.93 101.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.6 m -116.16 176.19 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.68 97.32 0.18 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.541 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.73 86.02 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -177.03 111.5 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -62.89 -31.64 72.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.83 176.14 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.9 mt -107.37 86.81 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -77.6 166.84 53.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.68 -42.4 62.8 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.551 2.167 . . . . 0.0 112.342 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -64.39 -31.25 72.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 26.7 mp0 -70.11 -28.66 65.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -62.88 146.31 53.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.005 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 83.0 m95 -130.14 -179.92 5.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -155.45 90.65 2.88 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.34 155.55 9.37 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.568 2.179 . . . . 0.0 112.206 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.5 t -141.15 157.03 22.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.445 ' N ' HG12 ' A' ' 108' ' ' VAL . 95.8 m-85 -143.91 116.79 8.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -129.14 105.39 8.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 59.69 39.66 20.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.27 -40.91 2.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.435 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -61.59 -180.0 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.742 0.306 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 2.9 ptp -158.89 141.97 14.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -140.45 121.51 14.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.068 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.48 119.01 19.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.7 tp -100.93 131.26 46.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.513 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -73.22 168.01 20.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.6 t -64.38 -15.38 60.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.189 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.542 ' ND2' HD13 ' A' ' 86' ' ' ILE . 41.7 p30 -95.24 23.88 5.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.207 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.9 43.36 30.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.174 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.416 ' HB3' ' HB1' ' A' ' 134' ' ' ALA . 1.6 m -145.11 121.92 11.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.656 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 65.7 m-85 -59.48 173.05 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 24.3 pt -107.9 145.27 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.227 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 34.7 ttt-85 -160.41 131.46 5.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.792 ' SG ' HD13 ' A' ' 47' ' ' LEU . 22.3 p -87.2 161.49 18.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.962 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -109.37 152.58 25.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.69 -29.97 67.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.5 -36.75 76.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 138.06 -21.44 3.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.594 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.47 149.78 45.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 0.0 110.941 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.481 HD11 ' C ' ' A' ' 46' ' ' THR . 30.9 mt -128.67 108.47 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.038 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.39 171.16 8.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.416 ' HB1' ' HB3' ' A' ' 122' ' ' CYS . . . -88.2 131.73 34.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.47 170.65 15.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.95 -179.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -60.29 -31.43 70.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.1 p -69.5 130.51 42.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.656 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -108.54 107.19 17.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.64 174.74 47.86 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.69 -32.66 74.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.69 -30.88 20.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.978 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -26.75 64.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.3 mmt -57.1 163.05 2.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.899 0.38 . . . . 0.0 110.966 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 2.4 pt -133.38 179.52 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.458 ' HE2' HG21 ' A' ' 16' ' ' THR . 7.4 mtpt -136.89 100.72 4.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 21.4 mt -84.17 113.56 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -107.35 142.98 36.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.7 t -117.66 146.36 43.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . 0.407 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 29.1 p -107.97 33.33 4.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -73.72 141.64 46.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.72 111.27 3.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -69.65 -178.2 1.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -139.41 79.26 1.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.956 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.146 0 N-CA-C 112.551 -0.22 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.71 131.43 36.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.353 . . . . 0.0 110.832 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.3 p -121.8 148.04 45.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.86 71.3 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -109.21 -30.86 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t 61.33 161.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.13 58.89 0.21 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.44 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.0 tp -145.14 122.02 11.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.339 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -101.17 126.35 47.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 10' ' ' ILE . 2.5 tt -128.47 124.01 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.6 t -122.34 104.73 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.046 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.27 -77.6 0.12 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 pt -145.85 30.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -132.42 123.17 26.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -124.18 140.79 52.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 m -74.38 141.9 45.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.454 HG21 HG12 ' A' ' 23' ' ' ILE . 31.5 m -82.17 173.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.84 -44.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -128.18 166.99 17.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.656 ' HA ' HD12 ' A' ' 23' ' ' ILE . 78.9 t80 -61.58 -35.56 78.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.75 -26.06 53.01 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -89.1 -28.4 20.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.731 0.301 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 20' ' ' PHE . 54.0 mt -65.42 106.68 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.048 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.0 t -172.48 144.67 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.7 -148.41 19.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -86.33 114.43 23.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.584 HD12 HG23 ' A' ' 147' ' ' ILE . 5.4 pt -129.01 139.53 51.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.32 154.62 18.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.3 mp -128.34 130.45 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 16.3 tt0 -115.96 115.93 27.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.412 ' HE1' HG23 ' A' ' 132' ' ' ILE . 19.1 mtt -84.59 -60.86 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.47 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 2.2 m-20 -88.02 175.91 7.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.04 80.98 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.82 -32.22 6.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.543 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . . . -85.4 134.25 34.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.848 0.356 . . . . 0.0 111.074 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.414 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 50.3 m-85 -111.6 177.02 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.6 mt -79.96 121.38 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -105.67 133.54 50.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.408 ' HA ' ' CD2' ' A' ' 45' ' ' PHE . . . -85.14 135.37 34.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.9 mt -100.18 179.28 4.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -105.54 -10.18 17.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.41 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -97.0 30.03 2.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.758 0.313 . . . . 0.0 111.039 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.7 34.07 87.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.568 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.648 HD23 HG12 ' A' ' 93' ' ' VAL . 34.6 mt -134.3 179.8 6.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.728 0.299 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.408 ' CD2' ' HA ' ' A' ' 39' ' ' ALA . 31.0 m-85 -147.04 111.0 5.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t -104.16 174.23 5.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.7 tp -80.46 111.53 16.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.7 150.91 41.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.442 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.92 137.62 90.62 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.634 0.254 . . . . 0.0 111.026 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.83 128.37 14.96 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.506 2.137 . . . . 0.0 112.249 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -60.46 169.97 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 ptt85 -103.0 -41.19 6.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -79.72 130.84 35.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.96 -41.66 86.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.74 73.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.958 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.37 156.01 42.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -96.88 157.43 21.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.89 152.38 73.64 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.617 2.211 . . . . 0.0 112.302 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.4 ' HB3' ' HD2' ' A' ' 60' ' ' PRO . 1.2 m -68.06 168.81 11.74 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.508 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 48.8 Cg_exo -54.92 -47.84 24.44 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.612 2.208 . . . . 0.0 112.622 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 73.7 Cg_endo -75.87 -26.86 9.16 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.195 1.93 . . . . 0.0 112.337 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -69.1 -31.6 70.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -72.47 123.52 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.505 ' HB3' HD22 ' A' ' 76' ' ' LEU . 88.7 m-85 -112.31 149.0 33.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.36 120.23 41.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.06 145.57 25.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.036 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.03 107.82 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.432 ' HE3' ' CE2' ' A' ' 20' ' ' PHE . 25.1 mtpt -59.87 146.3 42.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 75' ' ' ALA . 22.1 mt -129.73 -68.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.3 m -178.89 154.94 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 t0 59.81 37.08 22.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 10.9 m 60.3 51.88 5.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.4 mmm-85 -128.61 137.01 51.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.1 pt -123.25 151.45 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.431 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -110.32 103.71 12.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 64' ' ' PHE . 14.3 mt -70.12 152.39 44.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -138.41 120.25 15.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.3 p -61.16 152.31 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.39 -28.89 67.94 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -63.02 -31.26 72.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.87 36.51 0.96 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.584 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -131.61 161.75 31.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -95.38 124.9 39.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.484 HD12 ' HB3' ' A' ' 76' ' ' LEU . 14.4 mt -59.58 114.97 2.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -124.61 157.05 18.84 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.759 HD13 ' HB1' ' A' ' 118' ' ' ALA . 21.4 pt -109.92 136.55 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 111.159 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -74.46 164.4 26.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -69.11 -31.23 69.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.76 -31.47 68.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 118.28 38.62 0.79 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.541 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.476 HD12 ' HB3' ' A' ' 133' ' ' GLU . 4.8 tp -128.49 120.2 26.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.0 t -62.98 117.24 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.054 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.648 HG12 HD23 ' A' ' 44' ' ' LEU . 10.8 m -142.6 131.59 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -101.91 104.96 2.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.527 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -172.64 63.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.942 0.401 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.5 t -123.27 -39.54 2.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.042 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 66.35 31.62 8.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.72 142.51 0.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.4 mt -68.0 96.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.077 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -103.85 169.96 18.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.07 -51.78 9.43 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.574 2.182 . . . . 0.0 112.323 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.0 mtt85 -61.39 -33.72 74.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -62.6 -27.84 69.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -60.96 143.47 55.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.451 ' HB3' HD11 ' A' ' 116' ' ' LEU . 88.4 m95 -125.92 159.36 32.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.77 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -135.87 97.47 12.47 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.019 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.86 143.88 51.71 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.473 2.115 . . . . 0.0 112.215 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.5 148.59 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.202 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.432 ' CZ ' HD11 ' A' ' 23' ' ' ILE . 36.4 m-85 -125.02 128.96 49.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.79 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.95 122.89 15.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 59.41 30.63 20.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.83 -36.86 3.63 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -61.37 -179.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.426 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 10.1 ptp -151.04 145.74 25.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.49 157.88 43.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.451 HD11 ' HB3' ' A' ' 105' ' ' TRP . 20.6 tp -111.08 100.47 9.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.981 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.8 tp -79.13 131.38 36.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.759 ' HB1' HD13 ' A' ' 86' ' ' ILE . . . -76.01 169.72 17.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.5 t -71.7 -9.48 58.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -95.75 24.75 5.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.645 0.259 . . . . 0.0 111.198 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.7 p 54.36 32.53 16.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.812 0.339 . . . . 0.0 111.112 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.774 ' HB3' ' HB1' ' A' ' 134' ' ' ALA . 95.3 m -133.66 139.66 46.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.418 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 23.2 m-85 -77.49 151.05 34.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.2 pt -89.18 158.25 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.503 ' O ' HG23 ' A' ' 132' ' ' ILE . 9.8 ptm180 -177.17 158.86 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 14.8 p -102.94 179.05 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -130.22 152.19 49.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.31 -31.62 70.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.815 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.85 -31.24 66.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.073 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 117.28 50.19 0.39 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -145.37 137.44 25.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.503 HG23 ' O ' ' A' ' 125' ' ' ARG . 31.8 mt -108.74 122.16 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.476 ' HB3' HD12 ' A' ' 91' ' ' LEU . 0.8 OUTLIER -142.32 170.92 14.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.774 ' HB1' ' HB3' ' A' ' 122' ' ' CYS . . . -74.41 176.92 6.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.8 167.84 27.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -57.09 165.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -58.96 -30.58 68.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.2 p -62.75 101.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.418 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -86.45 118.49 25.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -88.18 179.67 46.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.554 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -68.26 -31.15 70.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.784 0.326 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -80.43 -36.07 34.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -30.43 69.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 23.8 mmt -59.07 134.43 56.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 3.9 pt -109.28 178.0 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -129.31 98.41 4.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.584 HG23 HD12 ' A' ' 27' ' ' ILE . 22.8 mt -80.52 105.37 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -98.08 138.84 34.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.7 t -112.45 149.42 32.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 26.4 p -131.1 35.99 3.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -75.03 170.41 16.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.11 103.83 7.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.08 167.03 15.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -102.77 123.8 47.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.86 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -106.47 136.26 46.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.55 109.51 3.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.69 -84.77 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -63.38 -67.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.835 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.74 31.31 20.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.35 -153.67 18.96 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.457 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 tp -150.21 112.14 4.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.19 84.05 7.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.503 ' O ' HG23 ' A' ' 10' ' ' ILE . 8.7 tt -79.3 118.79 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.057 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.3 106.76 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.89 -83.59 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.406 HG13 ' CD1' ' A' ' 14' ' ' TRP . 0.9 OUTLIER -141.09 31.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 111.053 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.412 ' CE2' ' HD2' ' A' ' 58' ' ' PRO . 49.0 m95 -136.9 117.38 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.2 p-90 -103.2 128.65 50.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.5 m -60.25 137.07 58.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.421 HG11 HG12 ' A' ' 23' ' ' ILE . 13.0 m -76.57 167.94 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.229 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.2 m -119.02 -41.03 2.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.952 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -134.49 175.01 9.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.768 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 60.3 t80 -58.97 -44.53 91.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.04 -26.79 49.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.681 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -70.37 -38.83 74.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.515 HG23 HG21 ' A' ' 27' ' ' ILE . 39.9 mt -73.36 116.73 16.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.46 115.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.98 -156.34 19.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 m -60.57 114.47 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.515 HG21 HG23 ' A' ' 23' ' ' ILE . 2.6 pt -127.43 166.34 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.5 137.64 48.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.081 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.446 HG23 HD12 ' A' ' 145' ' ' ILE . 23.2 mt -108.3 143.82 17.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -131.4 115.53 16.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.636 ' HA ' HG22 ' A' ' 145' ' ' ILE . 5.5 mtt -93.12 -45.5 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.487 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 2.5 t70 -107.13 171.06 7.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -78.74 85.78 4.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.25 -30.68 6.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.529 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.487 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . . . -87.11 145.13 26.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -124.83 169.06 12.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.41 HD12 ' HB ' ' A' ' 29' ' ' ILE . 30.1 mt -74.77 113.84 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.17 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -102.1 147.49 26.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.593 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -115.92 140.39 49.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.556 HD13 HD21 ' A' ' 42' ' ' ASN . 40.6 mt -98.12 156.15 16.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -65.94 -31.81 72.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.556 HD21 HD13 ' A' ' 40' ' ' LEU . 11.2 p30 -66.87 -31.2 71.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.13 -25.47 4.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.591 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.8 mt -71.4 170.32 13.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.68 ' HB3' HD12 ' A' ' 132' ' ' ILE . 20.6 m-85 -134.04 146.56 50.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -145.03 152.85 40.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.581 HD13 ' SG ' ' A' ' 126' ' ' CYS . 37.7 tp -64.08 108.84 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.32 174.04 5.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.66 150.38 40.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.734 0.302 . . . . 0.0 111.08 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.9 158.05 58.08 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.471 2.114 . . . . 0.0 112.298 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -90.07 160.06 16.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -62.64 1.5 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -68.48 161.46 27.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.4 p -86.27 -31.7 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -109.77 86.58 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -148.11 139.08 23.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.87 160.29 51.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.422 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.412 ' HD2' ' CE2' ' A' ' 14' ' ' TRP . 54.7 Cg_endo -69.84 177.68 5.39 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.514 2.142 . . . . 0.0 112.298 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.411 ' HB3' ' HD2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -95.18 171.15 6.88 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.557 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 64.3 Cg_exo -50.21 -50.3 13.85 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.567 2.178 . . . . 0.0 112.77 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 37.5 Cg_endo -65.93 -24.88 52.82 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.124 1.883 . . . . 0.0 112.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.405 ' O ' ' CE1' ' A' ' 64' ' ' PHE . 3.8 mt-10 -81.21 -30.91 34.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -76.17 122.94 25.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.471 ' CD2' HD11 ' A' ' 84' ' ' LEU . 82.6 m-85 -109.85 161.93 14.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.1 m -111.26 118.4 35.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.452 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -90.68 135.86 33.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.2 t -128.16 123.16 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.18 144.19 50.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.4 mt -132.76 -73.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.99 157.46 0.69 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.787 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 59.09 31.56 21.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.2 33.59 16.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.5 103.18 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.768 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 19.4 pt -95.61 153.94 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -108.51 126.89 53.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.016 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.697 ' HB3' HD12 ' A' ' 84' ' ' LEU . 13.9 mt -89.52 164.79 14.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.964 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.3 tttm -157.26 124.83 5.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.427 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -67.71 147.5 52.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.76 -28.31 65.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -60.43 -38.01 82.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.339 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.61 46.48 0.21 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -149.12 149.54 31.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -88.75 139.12 30.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.697 HD12 ' HB3' ' A' ' 76' ' ' LEU . 55.7 mt -78.01 111.9 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -134.05 127.17 4.47 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.7 pp -69.8 151.27 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 111.109 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -87.11 166.58 14.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 63.7 p -61.42 -32.34 72.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.3 -30.99 65.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 117.92 35.06 1.08 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 tp -114.4 142.76 45.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.9 121.16 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.4 m -139.35 179.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.143 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -155.06 85.67 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.56 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -156.26 31.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.839 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.7 -38.83 6.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.75 31.71 20.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.63 143.16 29.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 26.1 mt -83.91 77.46 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -99.57 173.64 26.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.538 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.412 ' HA ' ' HG3' ' A' ' 104' ' ' GLN . 53.9 Cg_exo -52.03 -36.7 66.19 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.639 2.226 . . . . 0.0 112.285 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -71.63 -36.02 70.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.408 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 9.6 mp0 -70.82 -24.15 62.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.212 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.412 ' HG3' ' HA ' ' A' ' 101' ' ' PRO . 10.7 mt-30 -57.35 150.2 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 0.0 111.097 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.696 ' CD1' HD12 ' A' ' 76' ' ' LEU . 98.5 m95 -138.53 135.27 34.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.79 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -124.65 95.34 42.91 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.969 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.29 144.95 58.29 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.478 2.118 . . . . 0.0 112.304 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.74 131.64 64.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.232 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -110.61 120.91 43.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -150.02 134.26 17.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 59.25 47.59 11.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 57.61 25.74 55.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.607 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -127.07 177.01 6.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.351 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -152.92 129.02 10.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.68 124.24 22.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.066 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.675 HD21 HD11 ' A' ' 76' ' ' LEU . 4.8 tp -68.01 131.16 44.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.5 tp -102.85 128.13 49.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.975 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.538 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -78.34 163.42 25.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.7 t -58.23 -20.9 45.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.538 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 34.4 p-10 -96.36 24.2 6.01 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.37 41.48 31.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.871 0.367 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 14.4 m -132.04 117.64 18.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.414 ' CD2' ' HB2' ' A' ' 139' ' ' ALA . 62.8 m-85 -60.23 139.79 57.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.55 HD11 HD13 ' A' ' 145' ' ' ILE . 23.6 pt -71.66 159.59 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.0 ttt-85 -172.34 155.99 3.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.581 ' SG ' HD13 ' A' ' 47' ' ' LEU . 8.2 p -108.41 128.44 54.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -73.83 173.55 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -84.89 -31.68 23.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.21 -43.92 60.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 136.59 46.11 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -136.92 99.57 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.68 HD12 ' HB3' ' A' ' 45' ' ' PHE . 28.8 mt -73.51 99.29 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -121.09 172.34 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -91.99 114.12 26.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.052 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.56 171.51 7.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -60.28 179.44 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -60.54 -30.61 69.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.99 116.72 6.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.414 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . . . -100.65 103.64 14.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.08 179.97 37.98 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.63 -32.42 73.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -86.28 -29.05 23.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -30.27 65.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 24.4 mmt -59.46 154.32 17.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.636 HG22 ' HA ' ' A' ' 31' ' ' MET . 18.4 pt -130.0 157.61 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -112.34 87.16 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 4.8 mt -75.18 130.35 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 33.9 mtt-85 -124.76 175.47 7.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.3 t -144.98 156.74 44.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 9.8 p -120.9 31.57 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -83.82 -179.75 7.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.5 133.66 54.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 27.3 mtm180 -87.53 137.35 32.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -109.78 116.68 32.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.447 ' OXT' HG23 ' A' ' 155' ' ' THR . 4.3 t . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 p -115.79 118.95 34.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -129.41 -56.43 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.38 54.34 1.36 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.67 165.43 21.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.891 0.377 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -101.35 -64.78 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.63 60.43 0.47 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.456 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 tt -74.51 129.44 37.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.15 111.13 16.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -102.0 113.07 37.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.098 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.513 HG13 ' HA ' ' A' ' 55' ' ' ASP . 21.4 t -115.58 94.12 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.78 -76.08 0.22 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.428 HG13 ' CD1' ' A' ' 14' ' ' TRP . 4.0 pt -140.54 31.25 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.428 ' CD1' HG13 ' A' ' 13' ' ' ILE . 80.2 m95 -136.01 114.51 11.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.565 ' HB3' HD12 ' A' ' 10' ' ' ILE . 53.3 p-90 -114.26 133.87 55.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.9 m -65.98 144.35 56.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.613 HG21 HG12 ' A' ' 23' ' ' ILE . 14.0 m -90.52 158.17 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.099 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -113.71 -36.74 4.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -131.67 173.96 10.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.964 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.689 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 69.2 t80 -59.57 -45.2 92.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.024 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.64 -26.32 45.76 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.691 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.415 ' HB3' HG12 ' A' ' 17' ' ' VAL . 3.9 mt-10 -73.33 -31.51 64.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.784 0.326 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.613 HG12 HG21 ' A' ' 17' ' ' VAL . 34.7 mt -75.37 122.34 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.144 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.2 t -177.01 153.22 0.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.33 -164.28 41.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.475 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.95 122.99 15.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.5 pp -135.76 155.62 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.17 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.41 135.88 54.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.585 ' HB ' HD12 ' A' ' 37' ' ' ILE . 32.5 mt -105.62 140.47 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -125.2 111.79 15.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.485 ' HE2' HD12 ' A' ' 124' ' ' ILE . 32.3 mtt -89.96 -39.73 12.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.491 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 2.4 m-20 -106.29 169.22 8.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -77.72 84.67 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.16 -37.73 3.31 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.45 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . . . -80.97 163.84 23.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.909 0.385 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -139.47 168.49 19.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.585 HD12 ' HB ' ' A' ' 29' ' ' ILE . 15.7 mt -72.99 105.84 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -92.24 112.41 24.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.23 175.89 6.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 mt -140.72 154.84 46.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.958 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -73.57 -36.59 65.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.958 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -58.46 -27.05 64.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.27 24.66 4.07 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.2 mt -121.43 -179.96 4.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.792 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.538 ' CZ ' HD21 ' A' ' 84' ' ' LEU . 33.9 m-85 -141.71 126.87 18.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.052 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 t -124.67 159.11 31.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.79 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.604 HD22 ' SG ' ' A' ' 126' ' ' CYS . 14.4 tp -78.55 104.49 9.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.16 174.12 7.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.405 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.72 148.85 49.79 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.698 0.285 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.66 165.32 32.38 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.557 2.171 . . . . 0.0 112.348 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -94.21 160.67 14.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.38 -41.85 10.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.53 151.13 27.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.35 -64.21 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.513 ' HA ' HG13 ' A' ' 11' ' ' VAL . 0.4 OUTLIER -80.38 79.59 6.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -133.59 158.32 43.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -102.51 151.52 18.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.432 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.65 158.31 53.79 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.526 2.151 . . . . 0.0 112.389 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.421 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . 51.1 m -80.02 164.04 54.76 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.761 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.498 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 50.5 Cg_exo -54.02 -45.08 43.69 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.505 2.136 . . . . 0.0 112.794 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 60' ' ' PRO . 38.3 Cg_exo -59.73 -34.92 95.92 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.527 2.152 . . . . 0.0 112.022 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 34.0 mt-10 -82.92 -30.51 28.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -69.98 117.66 11.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.434 ' CE2' HD11 ' A' ' 84' ' ' LEU . 85.3 m-85 -101.84 174.05 6.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.47 118.37 24.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.38 158.97 21.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 75' ' ' ALA . 21.5 t -152.34 108.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.01 110.68 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.731 HD21 HD13 ' A' ' 99' ' ' ILE . 89.1 mt -92.28 -79.41 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 m 179.93 155.42 0.59 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t0 59.02 42.11 19.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.73 40.25 13.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -122.12 129.62 52.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.689 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 15.1 pt -120.41 145.07 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.553 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -102.71 124.57 48.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.622 HD11 HD21 ' A' ' 116' ' ' LEU . 21.6 mt -89.21 152.28 21.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -144.76 119.19 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 p -60.23 159.9 9.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.1 -32.44 84.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.557 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -61.31 -39.12 89.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 125.11 41.26 0.37 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -136.87 136.6 38.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -76.25 135.2 39.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.538 HD21 ' CZ ' ' A' ' 45' ' ' PHE . 20.7 mt -68.54 116.12 8.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -130.83 119.17 2.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.7 pt -74.17 149.79 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 111.072 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -91.97 168.2 11.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.1 p -73.28 -32.24 64.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.13 -40.89 91.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 127.39 63.34 0.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.525 HD12 ' HB3' ' A' ' 133' ' ' GLU . 1.2 tp -152.92 150.0 28.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.9 t -98.13 104.11 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.048 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.454 HG21 ' NH1' ' A' ' 95' ' ' ARG . 27.2 m -125.23 157.21 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -120.75 104.22 0.96 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.454 ' NH1' HG21 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -169.54 91.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.785 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.7 t -169.74 -42.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.24 33.6 14.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.72 143.77 17.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.083 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.731 HD13 HD21 ' A' ' 69' ' ' LEU . 32.9 mt -77.2 80.21 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -90.2 177.16 42.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.84 -61.17 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.533 2.155 . . . . 0.0 112.412 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -57.76 -31.02 66.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.407 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 1.9 mp0 -64.06 -28.3 69.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -58.64 152.77 17.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.052 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.416 ' CE2' HD12 ' A' ' 76' ' ' LEU . 98.8 m95 -137.02 145.62 44.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -132.09 90.03 36.22 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.1 154.4 70.43 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.521 2.147 . . . . 0.0 112.266 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.3 t -140.24 158.77 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.181 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.476 ' N ' HG12 ' A' ' 108' ' ' VAL . 18.5 m-85 -130.9 129.0 41.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -142.68 128.99 19.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 59.03 26.83 15.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.78 -31.29 7.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.582 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -70.8 178.05 3.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.33 . . . . 0.0 110.954 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.486 ' HG3' HD12 ' A' ' 147' ' ' ILE . 4.0 ptp -147.41 142.55 27.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -137.26 143.58 42.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.622 HD21 HD11 ' A' ' 76' ' ' LEU . 45.1 tp -96.34 90.33 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.7 tp -71.27 131.23 43.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.456 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -76.45 169.43 18.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.8 t -65.67 -14.17 60.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.456 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 47.9 p30 -93.69 20.81 7.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.301 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.88 53.51 8.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.876 0.369 . . . . 0.0 111.04 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.3 m -156.69 136.47 12.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.833 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 49.5 m-85 -67.15 168.19 10.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.498 HD11 HD13 ' A' ' 145' ' ' ILE . 21.1 pt -93.19 159.79 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.24 161.35 19.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.604 ' SG ' HD22 ' A' ' 47' ' ' LEU . 25.0 p -111.96 173.24 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.977 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -127.77 160.77 30.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.48 -37.79 83.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.29 -34.92 73.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.12 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 121.5 38.79 0.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -123.53 101.71 7.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.9 mm -70.02 110.83 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.525 ' HB3' HD12 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -119.82 179.65 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -106.26 122.8 46.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.8 169.66 17.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.817 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.33 177.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -62.81 -31.6 72.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.2 p -58.69 132.33 53.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.833 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -112.96 155.31 25.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.047 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -143.97 173.47 24.75 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.23 -31.67 69.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.367 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -85.88 -31.17 22.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -30.64 69.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.443 ' CE ' ' HB1' ' A' ' 139' ' ' ALA . 23.3 mmt -59.16 139.77 56.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.498 HD13 HD11 ' A' ' 124' ' ' ILE . 3.3 pt -118.15 176.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -129.69 100.1 5.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.486 HD12 ' HG3' ' A' ' 114' ' ' MET . 2.4 mp -81.46 104.61 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.84 149.68 24.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 38.3 t -135.82 133.04 37.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 30.2 p -107.12 31.85 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -82.67 165.68 19.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.44 114.04 4.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -67.86 -178.77 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.17 80.66 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.898 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.7 t 60.61 162.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -97.12 150.42 20.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.39 66.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.54 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -102.12 -31.83 10.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -84.43 -177.15 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.32 97.13 0.67 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.425 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.8 tp -137.63 155.12 49.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.62 108.45 20.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.573 ' O ' HG23 ' A' ' 10' ' ' ILE . 12.6 tt -119.31 113.34 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.653 HG13 ' HA ' ' A' ' 55' ' ' ASP . 21.5 t -99.59 89.85 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.46 -78.33 0.34 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.42 HG13 ' CD1' ' A' ' 14' ' ' TRP . 0.9 OUTLIER -139.35 32.62 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.845 0.355 . . . . 0.0 111.083 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.42 ' CD1' HG13 ' A' ' 13' ' ' ILE . 52.9 m95 -141.76 118.62 11.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 50.8 p-90 -114.83 134.17 55.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.2 m -67.51 125.21 25.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.7 m -70.83 173.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.167 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.33 -48.93 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -112.09 178.1 4.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.661 ' HA ' HD12 ' A' ' 23' ' ' ILE . 69.8 t80 -74.37 -34.24 63.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.994 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.33 -27.6 60.76 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.565 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.79 -29.76 62.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.979 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.714 HG21 HD13 ' A' ' 74' ' ' ILE . 20.1 mt -68.54 105.47 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.25 104.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.819 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.48 -158.67 14.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.439 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.5 m -67.04 132.09 47.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.3 pt -139.2 173.3 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.47 126.16 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.9 mt -105.46 123.41 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.1 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -107.27 111.64 24.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.988 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.446 ' HG3' HD11 ' A' ' 37' ' ' ILE . 4.2 mtt -86.07 -48.32 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.864 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 15.9 t70 -102.39 161.8 13.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -71.16 79.99 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.26 -31.21 5.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.53 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.864 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . . . -86.11 163.42 17.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.766 0.317 . . . . 0.0 111.085 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -136.9 151.98 49.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.446 HD11 ' HG3' ' A' ' 31' ' ' MET . 4.0 mt -66.31 116.43 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -100.04 162.74 12.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.741 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -126.87 141.1 51.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 44' ' ' LEU . 17.9 mt -97.42 154.29 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.94 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -65.8 -31.51 72.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -67.97 -35.52 78.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.17 -26.59 2.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.542 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' HB2' HD12 ' A' ' 40' ' ' LEU . 11.5 mt -67.18 173.17 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.741 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 21.2 m-85 -138.64 134.08 33.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.7 t -126.17 179.89 5.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.554 HD13 ' CB ' ' A' ' 126' ' ' CYS . 8.3 tp -94.21 108.58 20.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.67 163.98 12.98 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.554 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.03 148.68 84.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.681 0.277 . . . . 0.0 111.118 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.74 146.49 54.29 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.624 2.216 . . . . 0.0 112.315 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -75.18 142.11 43.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 -70.03 -37.19 75.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.92 146.83 27.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.01 -49.94 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.653 ' HA ' HG13 ' A' ' 11' ' ' VAL . 77.2 m-20 -110.06 79.09 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -125.74 132.63 52.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.85 150.29 51.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.05 162.09 43.14 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.609 2.206 . . . . 0.0 112.282 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.8 m -75.6 162.05 73.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.803 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.561 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 54.4 Cg_exo -51.29 -48.17 22.45 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.504 2.136 . . . . 0.0 112.618 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 56.3 Cg_endo -70.55 -25.28 25.12 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.136 1.891 . . . . 0.0 112.285 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -78.61 -31.35 47.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.82 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -67.58 134.78 51.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.536 ' CE1' HD11 ' A' ' 84' ' ' LEU . 97.6 m-85 -114.61 158.03 22.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.85 134.92 52.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.15 133.7 49.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.068 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.04 132.12 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.412 ' O ' HD23 ' A' ' 69' ' ' LEU . 2.0 mtpm? -76.16 144.88 40.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.849 HD11 ' HB2' ' A' ' 75' ' ' ALA . 12.5 mt -133.34 -72.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.0 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.3 p 179.82 157.21 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 54.82 36.33 26.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 1.0 OUTLIER 61.23 29.66 18.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -105.91 104.18 13.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.731 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.714 HD13 HG21 ' A' ' 23' ' ' ILE . 35.4 pt -95.2 140.28 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.282 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.849 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -93.94 134.48 36.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.053 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.742 ' HB3' HD12 ' A' ' 84' ' ' LEU . 26.4 mt -96.41 146.26 24.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -132.07 125.32 31.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.797 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.2 p -63.91 158.07 23.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.47 -27.13 57.96 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -72.6 -31.82 65.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.24 -18.62 5.24 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.623 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -70.98 169.62 14.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.83 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -107.07 133.69 51.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.742 HD12 ' HB3' ' A' ' 76' ' ' LEU . 80.7 mt -69.49 130.91 43.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.89 128.23 2.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.5 pt -67.21 166.12 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.903 0.382 . . . . 0.0 111.106 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -111.88 176.51 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.5 p -65.01 -31.34 72.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.69 -34.04 66.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 128.8 -24.4 4.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.592 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tp -56.93 155.88 7.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 111.048 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.72 95.87 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 24.2 m -104.74 168.71 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -136.98 95.92 0.24 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -167.46 107.76 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.75 -39.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.978 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.06 30.57 13.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.811 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.06 -168.8 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.3 mt -122.87 89.82 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.73 -160.04 27.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.54 -45.74 1.09 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.584 2.189 . . . . 0.0 112.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -33.11 75.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.406 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 0.7 OUTLIER -66.03 -19.63 65.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.211 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -71.49 125.52 27.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.848 0.356 . . . . 0.0 111.006 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 93.1 m95 -124.4 141.36 52.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.789 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -119.9 97.82 49.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.952 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.23 153.85 70.74 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.397 2.065 . . . . 0.0 112.242 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.491 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.2 t -140.83 159.41 23.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.293 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.491 ' N ' HG12 ' A' ' 108' ' ' VAL . 51.0 m-85 -133.48 141.34 47.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.77 101.76 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 57.23 47.62 16.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.0 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.91 -45.21 2.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.4 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -60.5 179.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.8 ptp -161.11 153.23 19.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -144.41 163.46 33.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.629 HD21 HD11 ' A' ' 76' ' ' LEU . 10.1 tp -115.91 123.53 48.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.7 tp -105.85 123.26 47.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.808 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.533 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -65.34 165.37 11.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.26 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.51 -16.04 61.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.236 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.533 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 40.9 p30 -94.02 21.33 6.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.271 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.75 52.55 10.69 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.834 0.35 . . . . 0.0 111.083 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.3 m -147.85 125.52 11.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.425 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 45.1 m-85 -63.85 129.45 40.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 37.7 pt -68.17 160.91 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.253 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.81 173.38 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.554 ' CB ' HD13 ' A' ' 47' ' ' LEU . 25.9 p -122.74 157.0 33.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -101.05 173.37 6.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -71.15 -47.85 55.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.85 -31.21 69.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 119.08 51.42 0.29 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.451 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.77 127.08 33.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.322 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 28.0 mm -90.09 108.47 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.34 168.28 11.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -91.42 100.16 12.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -61.23 167.0 3.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.62 -180.0 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -70.04 -29.42 66.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 11.6 p -56.96 127.77 33.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.015 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.425 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -109.37 97.85 7.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -84.73 179.97 51.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -59.53 -49.62 77.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -66.2 -30.5 70.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.95 -31.03 68.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.7 mmt -60.09 147.88 37.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.401 HG22 ' HA ' ' A' ' 31' ' ' MET . 10.0 pt -133.53 174.91 12.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -126.36 105.64 8.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 23.2 mt -89.34 119.56 36.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -104.81 161.32 14.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 7.6 t -144.49 143.26 30.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 25.6 p -110.56 32.61 5.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -71.31 144.71 49.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -71.16 105.53 3.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -73.06 -175.34 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.42 30.74 3.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 8.8 p . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.035 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.1 34.77 4.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.973 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -102.8 -58.82 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.11 130.66 1.53 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.534 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.28 -67.87 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 m -75.64 91.36 2.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.55 -41.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.577 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.687 HD21 ' HB2' ' A' ' 15' ' ' TRP . 7.6 tt -86.61 115.74 24.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -82.25 122.19 27.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.459 HD12 ' HB3' ' A' ' 15' ' ' TRP . 0.9 OUTLIER -116.95 136.3 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.046 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.81 102.94 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.38 -87.42 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.445 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.409 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.4 pt -132.01 30.82 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 111.119 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.409 ' CD1' HG13 ' A' ' 13' ' ' ILE . 68.3 m95 -132.29 139.0 48.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.687 ' HB2' HD21 ' A' ' 8' ' ' LEU . 35.6 p-90 -131.73 138.33 48.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.41 127.5 32.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.932 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 147' ' ' ILE . 31.3 m -64.62 177.85 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -139.43 -47.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -132.02 176.03 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.434 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 10.5 t80 -61.93 -39.74 93.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.21 -28.61 64.48 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.441 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -81.5 -31.53 32.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.488 HG12 HG11 ' A' ' 17' ' ' VAL . 8.8 mt -82.24 95.98 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -158.92 112.6 2.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.19 -156.57 15.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.24 130.6 47.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.426 HG22 ' HB2' ' A' ' 149' ' ' SER . 14.6 pt -146.61 159.45 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.9 137.49 54.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.105 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.534 HD12 ' CD2' ' A' ' 64' ' ' PHE . 4.4 mt -115.17 128.35 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.406 ' OE2' ' CZ ' ' A' ' 36' ' ' TYR . 13.0 tt0 -116.41 104.36 11.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.7 mtt -71.1 -55.71 7.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.547 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 0.8 OUTLIER -91.83 179.74 5.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 tttp -78.09 80.21 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.28 -27.54 8.45 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.551 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.547 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . . . -89.75 145.09 25.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.853 0.359 . . . . 0.0 111.164 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.406 ' CZ ' ' OE2' ' A' ' 30' ' ' GLU . 40.0 m-85 -118.54 174.17 6.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.3 mt -79.07 116.5 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -98.9 149.41 22.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.9 175.09 5.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.09 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.3 mt -145.07 140.43 28.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.62 -30.47 70.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -58.25 -28.53 65.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.39 30.07 2.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.8 mt -135.52 180.0 5.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.745 0.307 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.583 ' CE2' HD21 ' A' ' 84' ' ' LEU . 13.6 m-85 -137.21 126.18 24.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -126.62 157.85 37.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.1 tp -64.57 120.22 11.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.5 154.95 52.8 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . . . -75.75 132.47 74.79 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 120.502 0.191 . . . . 0.0 111.065 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.506 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 50.2 Cg_exo -53.54 173.37 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.446 2.098 . . . . 0.0 112.234 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -103.44 137.04 42.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -31.28 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -103.8 142.17 34.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -69.58 -31.14 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.062 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -104.03 83.44 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -147.79 160.33 42.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -99.7 155.86 19.74 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.454 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.43 145.83 54.36 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.57 2.18 . . . . 0.0 112.357 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.15 163.72 5.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.532 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 58.6 Cg_exo -50.44 -50.8 12.5 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.532 2.155 . . . . 0.0 112.711 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 40.0 Cg_endo -66.94 -25.58 44.71 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.076 1.851 . . . . 0.0 112.242 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 10.2 mt-10 -74.06 -30.02 62.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -68.1 165.4 18.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.802 ' CE1' HD11 ' A' ' 84' ' ' LEU . 79.5 m-85 -150.38 170.49 18.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -133.61 120.73 21.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.16 134.25 35.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.063 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.605 ' HB ' ' HB3' ' A' ' 75' ' ' ALA . 29.3 t -127.84 122.24 58.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.33 126.85 30.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.784 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.778 HD11 ' HB2' ' A' ' 75' ' ' ALA . 74.7 mt -113.65 -75.0 0.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.007 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m -179.99 155.49 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t70 59.33 36.41 23.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m 60.21 57.01 3.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -133.23 125.52 29.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.434 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 27.2 pt -106.33 134.2 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.778 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -92.45 95.18 9.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.503 ' HB3' HD12 ' A' ' 84' ' ' LEU . 20.3 mt -65.68 152.81 43.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -147.5 122.33 9.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 p -65.21 150.4 48.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.22 -28.23 68.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -59.97 -30.84 69.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.85 37.76 0.75 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.508 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -136.33 165.2 26.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -100.54 122.91 44.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.802 HD11 ' CE1' ' A' ' 64' ' ' PHE . 27.9 mt -63.19 110.53 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.81 128.83 4.23 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.532 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.2 pt -66.29 166.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -98.58 171.01 8.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.6 p -74.29 -31.69 62.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -75.01 -39.91 60.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.13 55.3 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.652 HD12 ' HB3' ' A' ' 133' ' ' GLU . 1.8 tp -146.0 130.28 17.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 110.956 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.56 120.35 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.0 m -136.65 176.24 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.25 93.5 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.5 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.5 ptt85 -147.93 31.78 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.817 0.341 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.14 130.85 51.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -98.6 31.17 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -137.03 -169.45 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.6 mt -127.34 85.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.2 -170.33 32.1 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.76 -28.74 30.08 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.554 2.169 . . . . 0.0 112.325 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 -79.01 -31.41 44.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -76.1 -16.57 59.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.223 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -74.91 157.1 35.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.847 0.356 . . . . 0.0 111.058 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.414 ' CE3' ' HA ' ' A' ' 118' ' ' ALA . 84.4 m95 -141.58 175.68 9.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.745 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -148.11 100.23 3.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.082 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.23 126.8 13.4 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.524 2.149 . . . . 0.0 112.235 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.5 t -113.62 158.16 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.24 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.477 ' N ' HG12 ' A' ' 108' ' ' VAL . 58.9 m-85 -137.03 132.67 34.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -140.67 101.15 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 59.28 41.26 20.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.34 -42.43 2.15 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -60.38 175.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 4.7 ptp -156.6 151.98 26.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -151.23 116.57 5.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.508 ' HB2' HD11 ' A' ' 145' ' ' ILE . 15.4 tp -69.55 95.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 123' ' ' PHE . 8.5 tp -81.61 123.15 28.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.493 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -59.85 170.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.8 t -73.78 -7.97 54.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.294 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.493 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 44.3 p30 -96.33 25.13 5.18 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.705 0.288 . . . . 0.0 111.095 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.1 p 54.9 34.75 22.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.156 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 3.1 m -139.54 122.05 16.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.504 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 73.8 m-85 -59.86 163.15 4.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.415 ' CD1' HD23 ' A' ' 116' ' ' LEU . 27.2 pt -112.1 159.51 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.36 162.39 6.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.4 p -105.1 152.59 22.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -105.52 173.92 6.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -90.45 -31.3 16.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.17 99.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 134.99 51.79 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.579 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -155.65 148.8 24.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 26.3 mt -126.78 97.12 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.652 ' HB3' HD12 ' A' ' 91' ' ' LEU . 3.6 pt-20 -115.64 179.59 3.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -101.82 122.44 43.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.32 175.47 10.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -59.89 177.8 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -59.49 -26.78 65.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.54 117.7 4.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.504 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -94.07 115.15 27.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -100.79 173.0 24.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -63.57 -31.67 72.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.28 -30.83 43.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.78 -30.43 67.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.4 mmt -58.77 145.42 40.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.508 HD11 ' HB2' ' A' ' 116' ' ' LEU . 4.6 pt -130.81 158.54 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.059 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -98.85 86.53 3.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.536 ' O ' HG22 ' A' ' 17' ' ' VAL . 24.2 mt -76.71 105.77 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.198 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -99.48 179.61 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.426 ' HB2' HG22 ' A' ' 27' ' ' ILE . 17.2 t -158.12 134.73 9.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . 0.405 ' HB3' ' CD2' ' A' ' 14' ' ' TRP . 13.3 p -104.68 31.6 4.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -75.45 167.26 22.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.74 107.91 12.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 3.6 mtp-105 -62.97 175.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -121.88 94.22 4.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -66.24 149.63 50.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.361 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -91.92 -176.57 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.63 -90.28 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.29 49.73 1.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.939 0.4 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -131.1 -177.07 4.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.3 56.86 0.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.551 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' A' ' 15' ' ' TRP . 6.1 tt -146.0 142.18 28.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.81 114.85 23.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.527 ' O ' HG23 ' A' ' 10' ' ' ILE . 2.0 tt -124.01 116.48 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.3 106.89 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.26 -85.89 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.418 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.4 pt -135.4 30.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.418 ' CD1' HG13 ' A' ' 13' ' ' ILE . 69.5 m95 -134.57 120.41 19.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.506 ' HB2' HD21 ' A' ' 8' ' ' LEU . 55.5 p-90 -112.61 122.53 47.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.9 m -60.11 138.06 57.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.586 HG21 HG12 ' A' ' 23' ' ' ILE . 19.7 m -76.89 140.57 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.18 -37.6 10.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.793 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -138.06 171.48 14.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.506 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 89.7 t80 -59.34 -44.23 92.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.29 -26.94 45.32 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.478 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -79.93 -29.94 39.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.586 HG12 HG21 ' A' ' 17' ' ' VAL . 39.6 mt -70.72 97.33 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.079 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -152.6 161.02 43.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.95 -149.47 47.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.8 m -70.97 130.91 42.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.516 ' CD1' ' HB2' ' A' ' 66' ' ' ALA . 46.0 pt -148.64 147.19 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -106.84 151.42 25.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.2 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.509 ' HB ' HD12 ' A' ' 37' ' ' ILE . 22.7 mt -125.73 119.31 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.417 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 15.3 tt0 -107.35 127.47 53.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.612 ' HE2' HD12 ' A' ' 124' ' ' ILE . 6.6 mtt -92.01 -55.39 3.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.28 173.26 7.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.0 79.98 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.45 -28.62 3.57 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.546 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.713 ' HB2' ' HG3' ' A' ' 50' ' ' PRO . . . -99.68 152.24 20.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.81 0.338 . . . . 0.0 111.117 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.417 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 81.6 m-85 -125.61 167.82 14.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.509 HD12 ' HB ' ' A' ' 29' ' ' ILE . 32.9 mt -76.09 113.28 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.179 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -95.67 158.53 15.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -117.08 119.09 34.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.087 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.645 HD12 ' HB2' ' A' ' 44' ' ' LEU . 44.4 mt -77.63 169.42 18.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -89.36 -31.8 17.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -65.01 -32.88 74.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.64 41.7 0.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.429 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.645 ' HB2' HD12 ' A' ' 40' ' ' LEU . 8.0 mt -140.66 175.77 9.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -136.48 119.48 16.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.5 t -125.39 166.16 17.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 47' ' ' LEU . 13.6 tp -56.98 117.36 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.72 155.28 52.83 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.562 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.83 111.48 4.93 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 120.622 0.248 . . . . 0.0 111.024 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.713 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 54.4 Cg_exo -51.91 145.0 33.93 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.448 2.099 . . . . 0.0 112.361 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -70.02 157.52 37.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -84.57 -33.41 23.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.97 167.42 10.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.99 -64.72 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.58 83.21 6.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -132.74 155.4 48.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -101.22 149.07 18.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.62 157.69 55.27 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.566 2.178 . . . . 0.0 112.413 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.78 162.73 72.77 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.556 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 66.5 Cg_exo -49.96 -50.5 13.13 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.519 2.146 . . . . 0.0 112.693 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 38.1 Cg_endo -66.17 -24.46 51.54 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.149 1.899 . . . . 0.0 112.329 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -76.42 -30.99 57.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -69.98 141.78 52.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -124.57 164.16 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.23 118.49 26.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.516 ' HB2' ' CD1' ' A' ' 27' ' ' ILE . . . -80.68 154.32 27.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.063 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.792 ' HB ' ' HB3' ' A' ' 75' ' ' ALA . 21.5 t -141.85 99.04 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.732 ' HA ' HG22 ' A' ' 74' ' ' ILE . 12.6 mtpt -62.75 143.02 57.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.4 mt -133.44 -69.85 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.967 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.97 162.9 1.03 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 58.33 35.48 24.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.992 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.438 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 20.0 m 59.74 38.11 21.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -118.65 131.79 56.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.732 HG22 ' HA ' ' A' ' 68' ' ' LYS . 16.9 pt -126.58 156.89 37.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.792 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . . . -111.04 130.16 55.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.08 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.8 mt -94.23 141.76 28.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -129.07 128.85 44.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.772 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -78.58 155.31 29.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.51 -28.43 62.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.604 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -61.66 -35.51 78.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 121.67 37.19 0.68 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.523 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -137.83 164.25 29.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.343 . . . . 0.0 110.94 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -103.27 132.59 49.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.784 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.1 mt -60.55 111.69 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -128.0 135.84 8.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.488 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.3 pt -87.22 133.31 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.79 0.329 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -69.09 169.8 11.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.0 t -60.3 -31.42 70.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.8 -31.5 66.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 114.2 32.46 2.0 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.526 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 133' ' ' GLU . 4.5 tp -107.01 134.91 49.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.6 t -76.63 114.83 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.3 m -140.89 179.56 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.38 82.67 0.17 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -131.58 34.68 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 m -144.28 147.66 33.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -111.06 31.59 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -132.89 131.42 40.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.2 mt -77.72 78.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -87.71 175.88 45.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.35 -43.14 56.18 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.614 2.209 . . . . 0.0 112.244 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -70.0 -32.27 70.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.04 -28.95 63.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -58.51 157.87 8.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.424 ' CE3' ' CD2' ' A' ' 116' ' ' LEU . 96.2 m95 -137.52 -179.95 6.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -160.6 88.12 1.77 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.9 164.12 1.73 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.541 2.161 . . . . 0.0 112.235 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.4 t -143.07 159.18 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.504 ' HZ ' HD11 ' A' ' 23' ' ' ILE . 90.5 m-85 -151.65 122.36 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -142.92 125.8 16.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.95 29.39 18.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.49 -32.56 6.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.565 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -65.53 179.25 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.933 0.397 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.435 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 1.5 ptp -149.46 155.65 40.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -160.94 142.21 11.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.424 ' CD2' ' CE3' ' A' ' 105' ' ' TRP . 6.1 tp -96.49 129.51 43.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 tp -109.33 124.46 50.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.567 ' HB3' ' OD1' ' A' ' 120' ' ' ASN . . . -66.2 171.48 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.5 t -73.26 -7.75 52.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.328 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.567 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 38.8 p30 -96.01 25.14 4.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.67 0.271 . . . . 0.0 111.181 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 m 55.5 33.79 21.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 9.0 m -136.83 135.32 37.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.629 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 60.7 m-85 -68.78 169.25 11.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.761 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.612 HD12 ' HE2' ' A' ' 31' ' ' MET . 2.1 pt -100.43 158.57 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -176.47 137.89 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 21.5 p -78.25 168.86 19.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -115.2 172.33 7.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -84.24 -31.61 24.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.07 -47.85 26.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 139.48 44.51 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -148.25 100.77 3.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.445 HD13 HG23 ' A' ' 37' ' ' ILE . 11.4 mt -71.39 120.29 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.051 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.529 ' HB3' HD12 ' A' ' 91' ' ' LEU . 5.4 pt-20 -131.0 154.8 47.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.97 110.82 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.8 176.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -59.61 176.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.08 -30.97 71.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.962 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.39 118.05 5.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.629 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -105.09 107.57 18.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -96.7 177.11 32.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.429 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.14 -42.29 94.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 110.807 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.93 -35.71 77.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -26.22 68.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 26.1 mmt -56.06 116.04 2.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.434 HG22 ' HA ' ' A' ' 31' ' ' MET . 4.6 pt -105.89 179.97 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -132.19 106.57 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 2.0 mp -92.2 116.36 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -94.81 159.85 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 29.3 t -136.43 129.15 30.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.988 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . 0.407 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 29.9 p -108.66 32.21 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -82.25 159.9 23.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.52 127.69 33.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.68 171.95 14.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.708 ' O ' HG23 ' A' ' 155' ' ' THR . 5.7 mt-10 60.22 31.34 20.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 154' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.217 -0.896 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p -78.0 93.71 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.37 104.96 17.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.79 -87.88 0.1 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -112.96 145.46 40.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.311 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -103.91 124.32 48.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.76 -75.82 0.35 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.512 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.5 tp -85.73 144.73 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -141.71 119.22 11.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.566 ' O ' HG23 ' A' ' 10' ' ' ILE . 19.5 tt -115.17 114.4 46.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.064 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.9 t -104.55 101.37 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.76 -82.27 0.31 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.425 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.4 pt -139.26 31.46 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.425 ' CD1' HG13 ' A' ' 13' ' ' ILE . 75.3 m95 -138.72 114.73 10.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.828 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -103.52 132.51 49.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 m -67.86 131.53 45.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.734 HG21 HG12 ' A' ' 23' ' ' ILE . 11.6 m -77.61 167.07 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -121.41 -42.67 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -126.89 179.24 5.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.555 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 48.0 t80 -69.2 -34.54 75.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.23 -28.6 69.43 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.547 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.32 -32.95 49.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.734 HG12 HG21 ' A' ' 17' ' ' VAL . 35.0 mt -75.79 111.84 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.27 123.24 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.0 -157.44 19.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.435 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.4 m -63.6 112.43 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.582 HG22 ' OG ' ' A' ' 149' ' ' SER . 4.2 pt -127.52 173.21 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.54 168.11 16.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.3 mt -142.29 127.77 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -120.99 112.04 18.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.493 ' CE ' HD12 ' A' ' 124' ' ' ILE . 15.6 mtt -88.86 -55.01 3.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.31 179.11 7.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.798 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -78.08 83.08 4.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.4 -29.46 11.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.19 147.19 32.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -119.36 173.54 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 25.6 mt -77.36 115.27 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -98.66 124.76 43.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.0 147.39 25.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.067 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.1 mt -116.88 152.43 34.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -81.67 -28.65 33.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.057 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -56.12 -25.55 46.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.04 31.91 1.64 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.556 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mt -143.68 179.76 6.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 110.81 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -135.59 119.1 16.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.2 t -118.9 158.52 25.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.1 tp -75.7 121.95 23.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.37 169.36 54.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.441 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.15 143.07 64.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.661 0.267 . . . . 0.0 111.033 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -74.19 173.52 14.0 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.541 2.161 . . . . 0.0 112.316 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -109.18 145.31 36.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -74.22 -49.84 21.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -74.29 153.51 39.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.52 -64.79 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -69.04 83.7 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -146.01 121.38 10.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.03 156.56 43.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.528 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.23 164.16 36.02 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.518 2.146 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.92 161.54 78.1 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.549 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 59.0 Cg_exo -50.61 -49.96 15.12 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.563 2.176 . . . . 0.0 112.702 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 41.8 Cg_endo -67.48 -25.21 41.62 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.12 1.88 . . . . 0.0 112.229 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -77.1 -31.69 56.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -66.67 112.95 4.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.499 ' CE1' HD11 ' A' ' 84' ' ' LEU . 98.0 m-85 -99.52 177.2 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -138.43 118.45 13.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.6 134.59 34.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.7 t -127.79 124.69 63.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -63.79 153.02 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 75' ' ' ALA . 11.5 mt -140.58 -73.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 m 179.96 154.7 0.56 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 62.23 34.27 16.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.026 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.6 m 61.05 39.07 16.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.13 133.09 56.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.789 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.555 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 2.8 pt -124.35 139.89 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.065 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.531 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -94.05 128.11 40.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.7 ' HB3' HD12 ' A' ' 84' ' ' LEU . 15.5 mt -89.16 131.93 35.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -119.19 133.96 55.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.1 p -80.39 150.52 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.5 -30.7 68.84 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -60.96 -31.21 70.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.02 45.64 0.58 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.585 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -146.5 164.76 31.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.832 0.349 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -97.52 139.29 33.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.7 HD12 ' HB3' ' A' ' 76' ' ' LEU . 64.2 mt -79.31 108.41 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -116.32 152.29 17.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.546 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.442 HG22 HG22 ' A' ' 92' ' ' VAL . 12.3 pt -97.43 136.03 29.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 111.179 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -77.74 175.37 10.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 91.7 p -75.12 -39.52 60.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -28.74 69.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 115.5 29.48 2.47 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 tp -114.21 115.79 28.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.442 HG22 HG22 ' A' ' 86' ' ' ILE . 21.4 t -69.27 121.63 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.8 m -138.11 -179.98 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.36 102.52 0.51 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -172.68 82.23 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.37 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.0 m -154.34 -45.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.3 t70 62.61 34.81 14.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -164.83 148.44 8.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.8 mt -76.08 84.88 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.68 166.16 23.74 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.18 -37.01 68.98 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.587 2.191 . . . . 0.0 112.349 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.5 mtt85 -74.46 -31.67 62.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 1.2 mp0 -71.92 -12.36 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.288 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -74.45 150.77 39.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.897 0.38 . . . . 0.0 111.03 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.527 ' CE3' HD23 ' A' ' 116' ' ' LEU . 73.6 m95 -140.51 149.31 42.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.726 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -127.76 97.53 29.95 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.072 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.73 152.31 17.3 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.397 2.065 . . . . 0.0 112.132 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.4 t -136.61 154.66 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.227 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.437 ' CD2' ' HB3' ' A' ' 114' ' ' MET . 29.4 m-85 -144.47 122.24 11.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.768 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.34 133.51 22.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.986 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 58.41 27.15 15.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.059 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.33 -33.47 5.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.612 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -77.3 179.98 6.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.437 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 3.1 ptt? -147.48 141.19 25.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -138.94 117.85 12.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.527 HD23 ' CE3' ' A' ' 105' ' ' TRP . 0.3 OUTLIER -60.18 133.96 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.4 tp -110.92 123.55 50.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.421 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -69.67 167.93 15.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.1 t -67.06 -13.31 61.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.192 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -93.89 21.01 7.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.236 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.1 m 55.36 36.26 26.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.805 0.336 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 44.6 m -140.36 127.15 20.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -67.11 149.23 50.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.493 HD12 ' CE ' ' A' ' 31' ' ' MET . 45.0 pt -89.44 144.84 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -149.01 128.55 13.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 20.3 p -79.41 154.87 28.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -111.7 166.36 11.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.42 -33.12 62.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.69 -29.57 69.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 114.14 28.92 2.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.546 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -123.7 116.23 22.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.757 0.313 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 26.9 mt -93.7 124.13 46.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.3 179.88 6.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -93.88 106.47 18.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.201 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 170.83 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -59.12 172.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -60.33 -40.79 91.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 16.6 p -67.16 102.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -83.46 106.53 15.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -65.51 176.89 13.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.42 -40.52 91.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -71.91 -31.1 66.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -25.33 64.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 34.7 mmt -55.57 145.42 23.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.029 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.48 HG22 ' HA ' ' A' ' 31' ' ' MET . 3.1 pt -132.64 175.18 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -132.14 109.52 10.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 26.2 mt -91.44 119.96 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 29.4 mtt-85 -113.72 157.87 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.582 ' OG ' HG22 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -133.63 147.12 51.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 26.0 p -109.78 35.03 3.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -83.31 163.84 20.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -76.57 128.29 34.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 19.9 mtm105 -103.51 167.53 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -106.37 31.23 5.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 23.3 m . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.889 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -96.62 175.57 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.336 . . . . 0.0 110.945 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 p -69.93 104.87 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.84 170.94 21.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.81 91.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.778 0.323 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.5 t 60.76 107.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.63 143.78 15.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.457 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 9' ' ' ASP . 1.3 tt -160.25 152.68 20.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.724 0.297 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.465 ' N ' HD23 ' A' ' 8' ' ' LEU . 1.6 m-20 -94.69 131.3 40.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.782 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.471 ' O ' HG23 ' A' ' 10' ' ' ILE . 18.4 tt -138.89 122.12 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t -100.17 91.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.41 -82.02 0.7 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.387 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.425 HG13 ' CD1' ' A' ' 14' ' ' TRP . 46.0 pt -136.28 29.29 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.795 0.331 . . . . 0.0 111.089 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.425 ' CD1' HG13 ' A' ' 13' ' ' ILE . 46.3 m95 -133.53 120.76 21.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.43 ' CE2' ' HG3' ' A' ' 153' ' ' ARG . 22.4 p-90 -117.15 135.68 53.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 m -69.47 141.03 54.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.414 HG21 HG12 ' A' ' 23' ' ' ILE . 30.7 m -78.0 177.02 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.089 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.7 m -124.57 -43.94 2.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.42 172.62 11.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.548 ' CE1' HG23 ' A' ' 74' ' ' ILE . 76.5 t80 -57.98 -42.4 85.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.008 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.59 -20.64 52.51 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.705 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.17 -32.43 38.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.741 0.305 . . . . 0.0 110.952 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 20' ' ' PHE . 18.3 mt -70.72 124.79 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.076 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.9 t -177.43 150.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.99 -133.95 17.74 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.6 m -90.75 127.45 36.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.482 HD13 ' CG2' ' A' ' 147' ' ' ILE . 2.3 pp -141.15 134.98 31.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.018 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.26 148.01 27.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 30' ' ' GLU . 4.8 mt -116.96 155.96 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.448 ' N ' HG22 ' A' ' 29' ' ' ILE . 17.3 tt0 -145.1 116.7 8.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.786 ' HA ' HG22 ' A' ' 145' ' ' ILE . 45.4 mtt -86.35 -52.68 5.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.475 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 4.7 t0 -89.32 176.22 7.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.797 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -83.0 81.72 8.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.41 -28.2 7.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.437 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . . . -87.47 139.03 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -121.77 167.55 12.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.24 128.39 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -115.04 139.82 49.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.601 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -99.49 134.98 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.551 HD13 HD21 ' A' ' 42' ' ' ASN . 13.6 mt -93.66 156.3 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -31.48 72.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.551 HD21 HD13 ' A' ' 40' ' ' LEU . 19.0 p30 -70.41 -31.15 68.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 133.46 -26.77 3.47 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.39 179.95 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.854 0.359 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.601 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 25.0 m-85 -141.91 127.83 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 t -125.08 156.39 38.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.464 HD13 ' CB ' ' A' ' 126' ' ' CYS . 12.6 tp -72.51 114.26 10.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.0 149.56 51.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.446 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.41 138.16 96.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.5 0.19 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.55 157.97 8.67 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.437 2.092 . . . . 0.0 112.303 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -82.34 162.22 22.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -71.71 -74.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.41 158.99 31.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.99 -31.32 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -104.29 85.09 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -147.51 142.93 27.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.74 152.61 35.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.92 155.8 57.22 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.526 2.151 . . . . 0.0 112.347 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.404 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . 46.3 m -76.69 162.37 70.78 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.834 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.489 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 52.0 Cg_exo -53.83 -45.13 43.31 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.498 2.132 . . . . 0.0 112.735 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 60' ' ' PRO . 27.9 Cg_exo -61.46 -29.99 86.03 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.427 2.085 . . . . 0.0 112.026 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 19.6 mt-10 -81.91 -29.44 32.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -67.7 143.87 55.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' A' ' 62' ' ' GLU . 96.8 m-85 -134.51 150.13 50.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -103.12 124.76 49.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.447 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -93.76 161.54 14.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.41 ' HB ' ' HB3' ' A' ' 75' ' ' ALA . 21.6 t -152.15 109.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.787 ' HA ' HG22 ' A' ' 74' ' ' ILE . 6.1 mtpm? -63.08 128.14 34.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.6 mt -112.15 -76.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.8 p -179.68 154.71 0.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 59.75 41.07 18.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m 62.13 31.49 17.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -111.21 125.85 54.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.787 HG22 ' HA ' ' A' ' 68' ' ' LYS . 18.5 pt -129.31 144.37 38.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.047 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.41 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . . . -86.72 176.59 7.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.6 mt -145.84 130.72 18.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -123.38 132.35 53.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.52 158.66 25.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.74 -28.78 66.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.407 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -62.09 -30.36 70.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.39 29.71 2.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.59 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -124.75 176.06 6.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.736 0.303 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -114.66 129.39 56.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.532 HD21 ' CZ ' ' A' ' 45' ' ' PHE . 25.3 mt -65.33 139.53 58.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.43 159.42 28.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.596 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 pt -108.19 149.67 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -91.22 162.18 14.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -31.8 70.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.3 -43.98 80.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 135.0 48.72 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.62 159.28 42.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.9 t -109.47 102.91 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.0 m -130.15 137.64 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -102.54 79.96 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.571 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -144.44 79.3 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.794 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.52 -44.71 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.9 t0 67.14 33.04 5.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.959 0.409 . . . . 0.0 110.813 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -168.05 141.67 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.995 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 mt -70.42 98.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -114.74 -178.18 18.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.54 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.96 -44.15 10.47 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.602 2.202 . . . . 0.0 112.182 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -62.68 -29.88 70.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.412 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 11.6 mp0 -78.67 -19.9 51.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.216 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -68.03 148.65 50.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.825 0.345 . . . . 0.0 111.091 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.424 ' CE3' ' HA ' ' A' ' 118' ' ' ALA . 81.8 m95 -134.19 -179.92 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.776 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -155.83 92.65 2.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.993 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.31 116.42 4.5 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.537 2.158 . . . . 0.0 112.245 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.18 145.12 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -119.85 129.11 54.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.82 112.39 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 59.56 36.18 22.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.54 -33.4 5.7 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -64.08 178.57 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 9.0 ptp -154.53 151.38 28.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.84 143.04 21.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.444 HD23 HG21 ' A' ' 124' ' ' ILE . 5.0 tp -85.23 113.75 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.3 tp -98.06 130.78 44.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.424 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -83.05 169.4 15.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.7 t -68.81 -11.28 60.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.229 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -94.75 22.39 6.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.674 0.273 . . . . 0.0 111.288 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.7 m 55.28 36.49 27.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.228 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 4.9 m -138.75 130.09 27.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -69.05 159.02 33.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.499 ' HB ' ' HE1' ' A' ' 31' ' ' MET . 44.7 pt -77.52 155.81 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.23 141.5 16.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.464 ' CB ' HD13 ' A' ' 47' ' ' LEU . 11.1 p -105.04 118.75 37.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -78.15 168.84 19.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -78.2 -39.17 41.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.78 -30.36 71.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 117.06 34.24 1.26 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -124.39 100.5 6.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.788 0.328 . . . . 0.0 110.949 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 126' ' ' CYS . 33.8 mm -69.96 108.83 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.058 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -120.73 154.58 35.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -83.43 110.9 18.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.29 174.1 8.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -60.21 176.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -63.84 -29.53 70.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.4 p -57.74 100.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.68 102.38 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -87.95 179.99 47.21 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.54 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -63.99 -39.28 93.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.787 0.327 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -70.99 -37.25 72.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -63.43 -26.92 68.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.0 mmt -56.45 135.52 54.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.786 HG22 ' HA ' ' A' ' 31' ' ' MET . 1.4 pt -135.31 -179.98 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -144.62 89.81 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.619 HG13 HD12 ' A' ' 145' ' ' ILE . 7.2 mt -66.72 106.62 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -85.35 173.69 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.3 t -151.63 131.9 13.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . 0.412 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 9.9 p -105.66 31.61 4.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.79 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -92.7 173.15 7.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.65 130.92 42.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . 0.43 ' HG3' ' CE2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -79.66 156.58 27.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.951 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -105.8 84.32 2.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.18 -0.915 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.49 174.1 13.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.82 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -115.32 131.7 56.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.05 160.49 13.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -87.3 166.66 14.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 p -113.47 123.32 49.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.17 -42.04 2.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.656 HD21 ' HB2' ' A' ' 15' ' ' TRP . 57.6 tp -81.82 149.66 28.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.823 0.344 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.76 94.7 6.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.696 HD13 ' HB3' ' A' ' 15' ' ' TRP . 9.3 tp -100.82 127.65 53.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.98 94.36 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.47 -72.77 0.46 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.361 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.405 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.0 pp -149.52 29.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.417 ' CE3' ' HB3' ' A' ' 150' ' ' CYS . 94.2 m95 -128.7 96.29 4.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.788 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.696 ' HB3' HD13 ' A' ' 10' ' ' ILE . 52.0 p-90 -94.86 122.37 37.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.86 163.4 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -107.45 132.46 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.225 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m -91.19 -37.35 13.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -132.01 173.29 11.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.458 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 79.7 t80 -72.77 -34.58 67.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.039 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.37 -25.07 54.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.687 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.3 -30.11 24.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.018 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mt -64.52 117.24 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 p -177.26 140.14 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.753 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.0 -146.57 19.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.2 m -80.32 131.85 35.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.502 HG22 ' HA ' ' A' ' 149' ' ' SER . 4.5 pt -143.57 173.97 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.64 153.16 51.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.487 HD11 ' CD2' ' A' ' 76' ' ' LEU . 7.7 mt -122.8 126.3 73.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -115.97 118.83 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.4 mtp -95.27 -48.63 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.657 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 0.5 OUTLIER -97.88 171.31 8.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -75.01 81.93 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.76 -28.54 9.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.554 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.657 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . . . -84.59 134.2 34.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.813 0.34 . . . . 0.0 111.132 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -113.87 163.6 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.446 HG23 ' CD1' ' A' ' 132' ' ' ILE . 33.7 mt -70.71 122.66 23.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -103.94 135.96 44.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.562 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . . . -100.81 139.56 36.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.4 mt -107.64 151.67 25.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -73.89 -31.08 62.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -58.9 -26.27 64.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.27 28.62 2.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -133.36 179.89 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.779 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.658 ' HB3' HD12 ' A' ' 132' ' ' ILE . 33.7 m-85 -141.61 139.27 33.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.6 t -132.7 179.95 5.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.4 tp -95.0 107.53 19.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.31 175.81 3.08 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.443 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.92 145.19 29.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.715 0.293 . . . . 0.0 111.087 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.38 135.12 21.87 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.512 2.141 . . . . 0.0 112.326 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -67.18 164.33 18.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.77 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.7 mtt-85 -73.97 -72.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -67.41 172.69 4.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.3 p -89.0 -34.43 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -89.57 79.84 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -151.05 122.43 7.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.787 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.41 156.11 42.66 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.599 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.58 151.92 64.74 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.556 2.171 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.419 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . 46.2 m -63.82 162.98 24.54 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.749 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.504 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 49.0 Cg_exo -54.38 -45.19 42.86 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.5 2.133 . . . . 0.0 112.651 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 60' ' ' PRO . 37.5 Cg_exo -59.6 -27.74 85.71 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.552 2.168 . . . . 0.0 112.086 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.418 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 7.1 mt-10 -85.86 -28.42 24.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.02 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -60.62 123.97 19.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.428 ' CD1' ' HA ' ' A' ' 78' ' ' SER . 85.1 m-85 -111.27 171.14 7.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.1 m -130.51 129.08 42.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.458 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -96.71 145.57 25.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.68 109.75 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.768 ' HA ' HG22 ' A' ' 74' ' ' ILE . 1.8 mtpm? -62.63 143.01 57.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.4 mt -125.99 -68.03 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.016 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.9 p 179.92 152.06 0.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 t0 58.61 39.45 24.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.99 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.433 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 2.2 m 60.66 37.3 19.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.4 mmm-85 -117.33 110.17 17.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.768 HG22 ' HA ' ' A' ' 68' ' ' LYS . 16.3 pt -105.81 161.16 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -112.35 134.91 53.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.487 ' CD2' HD11 ' A' ' 29' ' ' ILE . 12.3 mt -99.59 144.28 28.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.442 ' HE3' ' CZ ' ' A' ' 83' ' ' TYR . 5.8 ttmm -135.96 128.83 31.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.428 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . 3.3 p -68.22 155.07 40.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.13 -27.84 60.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.552 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -66.02 -43.0 88.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.1 45.1 0.17 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.553 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -141.68 152.85 44.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.837 0.351 . . . . 0.0 110.826 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.442 ' CZ ' ' HE3' ' A' ' 77' ' ' LYS . 97.8 m-85 -89.29 132.63 34.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.441 HD21 ' CE2' ' A' ' 45' ' ' PHE . 42.6 mt -66.49 97.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -112.15 131.49 10.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.06 127.3 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -59.55 160.07 7.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -36.49 83.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -62.83 -44.82 95.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.53 44.18 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.39 152.8 47.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.812 0.339 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.489 HG21 HG22 ' A' ' 132' ' ' ILE . 21.6 t -95.4 117.1 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.1 m -137.88 175.42 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.92 93.02 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.87 33.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.2 134.48 46.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -98.69 31.01 3.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.14 166.64 23.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.5 mt -104.11 81.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -91.56 -165.78 39.76 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.0 -40.71 4.64 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.636 2.224 . . . . 0.0 112.283 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 41.1 mtt85 -66.72 -30.82 71.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 25.2 mp0 -75.04 -26.94 59.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -56.49 155.21 7.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.405 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 97.6 m95 -142.87 179.99 6.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -162.24 96.15 1.21 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.84 168.03 21.46 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.436 2.091 . . . . 0.0 112.247 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.4 t -148.03 158.9 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.482 ' N ' HG12 ' A' ' 108' ' ' VAL . 96.9 m-85 -152.76 120.11 5.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -144.7 124.59 13.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 59.39 28.81 18.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.8 -32.08 6.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -65.59 172.5 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.441 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 3.4 ptp -153.39 150.62 29.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.989 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.32 155.05 35.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.156 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.7 tp -107.05 130.52 54.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 31.1 tp -108.39 128.28 54.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 122' ' ' CYS . . . -73.33 165.54 24.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.7 t -67.72 -14.15 62.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.289 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 56.5 p30 -96.25 24.94 5.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.778 0.323 . . . . 0.0 111.198 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.8 p 57.37 41.38 26.5 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 118' ' ' ALA . 26.0 m -146.86 122.44 10.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -59.92 167.61 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 39.8 pt -94.61 164.97 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -176.52 137.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 20.3 p -94.11 146.48 23.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -90.52 175.51 7.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -82.01 -31.76 30.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.9 -33.94 51.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 124.73 40.78 0.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.528 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -127.29 99.85 5.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.658 HD12 ' HB3' ' A' ' 45' ' ' PHE . 33.4 mt -74.62 117.38 18.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.145 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.92 168.87 18.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.416 ' HB1' ' HB2' ' A' ' 122' ' ' CYS . . . -82.2 123.72 29.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -83.74 165.0 19.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -51.3 168.68 0.06 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -59.64 -36.7 76.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 30.0 p -58.87 102.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.499 ' HB1' ' CE ' ' A' ' 144' ' ' MET . . . -78.17 87.06 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -61.7 179.95 3.67 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.8 -37.7 73.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.793 0.33 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -72.62 -31.62 65.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -28.34 68.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.499 ' CE ' ' HB1' ' A' ' 139' ' ' ALA . 32.7 mmt -57.09 137.61 55.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.994 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 8.3 pt -119.07 -179.99 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -135.07 95.29 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 8.0 mt -80.99 128.1 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -124.29 145.29 49.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.502 ' HA ' HG22 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -107.57 162.38 14.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . 0.417 ' HB3' ' CE3' ' A' ' 14' ' ' TRP . 26.9 p -138.5 35.77 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -84.7 174.17 10.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.94 117.35 19.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 19.4 mtm-85 -91.01 165.98 13.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -152.38 31.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.935 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t -88.71 133.11 34.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -110.05 36.14 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.58 141.55 47.44 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.86 169.79 8.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -125.29 -44.5 1.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.32 142.45 4.19 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tp -127.36 137.31 52.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.845 0.355 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -99.55 128.1 45.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 tt -126.6 136.33 61.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.6 96.71 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.74 -85.73 0.11 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.424 HG13 ' CD1' ' A' ' 14' ' ' TRP . 1.2 pt -130.91 30.75 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.428 ' CE2' ' HD2' ' A' ' 58' ' ' PRO . 84.5 m95 -135.02 143.88 47.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.518 ' HZ2' ' HB3' ' A' ' 151' ' ' ALA . 56.9 p-90 -139.58 135.53 33.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.413 HG22 ' HE1' ' A' ' 114' ' ' MET . 0.2 OUTLIER -70.34 143.24 52.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.546 HG11 HG12 ' A' ' 23' ' ' ILE . 30.8 m -81.41 170.03 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.2 p -127.14 -45.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -129.84 173.6 10.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.636 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 26.3 t80 -59.72 -44.99 93.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.44 -26.24 51.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.629 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -74.08 -34.86 64.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.546 HG12 HG11 ' A' ' 17' ' ' VAL . 30.0 mt -75.28 113.06 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.079 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.06 100.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.43 -147.73 16.95 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.425 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.9 m -78.17 126.98 31.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.696 HD13 ' H ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -141.58 147.82 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.34 133.49 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -109.27 127.3 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.218 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.416 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 10.9 tt0 -105.56 108.79 20.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.634 ' HE3' HD12 ' A' ' 124' ' ' ILE . 8.9 mtt -80.85 -67.71 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.3 178.06 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.97 84.56 4.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.9 -29.38 10.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' HB2' ' HB3' ' A' ' 50' ' ' PRO . . . -83.73 153.39 24.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.819 0.342 . . . . 0.0 111.078 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.416 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 71.9 m-85 -124.11 178.89 5.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.736 HG23 HD13 ' A' ' 132' ' ' ILE . 20.9 mt -81.69 123.04 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -107.72 149.43 28.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.64 159.32 16.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 44' ' ' LEU . 89.7 mt -128.01 169.23 14.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.949 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.72 -33.43 15.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.949 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -59.93 -29.42 68.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.07 35.17 0.97 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.528 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.467 ' HB2' HD12 ' A' ' 40' ' ' LEU . 5.3 mt -137.46 172.48 12.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.466 ' HB3' HD12 ' A' ' 132' ' ' ILE . 17.3 m-85 -134.81 117.11 15.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.987 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -112.7 169.85 8.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.0 tp -73.6 115.55 13.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.48 168.83 6.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.64 124.26 90.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.541 0.21 . . . . 0.0 111.052 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.406 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.59 131.86 22.38 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.402 2.068 . . . . 0.0 112.322 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -81.62 120.0 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -46.45 89.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -72.48 143.62 48.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.08 -32.01 31.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.09 86.79 4.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -159.39 123.04 3.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.09 147.38 33.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.428 ' HD2' ' CE2' ' A' ' 14' ' ' TRP . 50.7 Cg_exo -53.31 155.21 12.83 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.514 2.143 . . . . 0.0 112.285 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.9 m -72.83 160.91 81.72 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.56 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 54.1 Cg_exo -50.91 -48.71 19.63 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.571 2.181 . . . . 0.0 112.653 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 52.7 Cg_endo -69.56 -19.89 36.48 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.149 1.899 . . . . 0.0 112.467 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -83.24 -30.89 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.957 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -62.11 130.91 47.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -115.18 159.24 21.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.15 124.8 45.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.5 155.16 24.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.019 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.01 113.16 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -64.57 148.06 51.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.788 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.8 mt -139.71 -72.06 0.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 m 179.95 153.78 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 58.66 34.36 23.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 68.9 m 61.16 31.43 19.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -108.87 109.11 20.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.747 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.636 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 23.3 pt -102.24 170.13 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.283 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.56 124.87 43.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.719 ' HB3' HD12 ' A' ' 84' ' ' LEU . 17.3 mt -84.29 117.64 23.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -104.6 118.95 37.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 94.9 p -60.31 167.15 2.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.64 -39.14 94.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.547 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -60.2 -30.46 69.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.78 0.324 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.4 30.5 2.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -118.0 146.46 44.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -82.42 132.97 35.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.719 HD12 ' HB3' ' A' ' 76' ' ' LEU . 73.1 mt -70.83 120.7 16.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -131.16 134.14 7.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.519 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 pt -76.73 130.68 36.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -64.59 175.22 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 43.0 t -60.3 -41.19 92.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.21 -45.57 55.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.86 44.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.533 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.42 137.66 48.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.0 t -76.02 83.52 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.0 m -104.81 167.53 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -137.34 86.72 0.23 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -156.46 79.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.37 -47.69 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.1 t0 60.28 31.71 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -154.85 143.36 20.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.5 mm -71.04 110.55 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.204 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -131.87 168.22 22.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.6 -48.47 21.7 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.641 2.227 . . . . 0.0 112.304 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -64.99 -35.77 82.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 1.4 mp0 -74.37 -27.0 60.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.066 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -58.9 138.13 57.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.424 ' CE3' ' HA ' ' A' ' 118' ' ' ALA . 97.9 m95 -122.36 -179.99 4.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -165.26 95.1 0.86 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.968 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.09 145.47 61.13 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.477 2.118 . . . . 0.0 112.257 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 109' ' ' PHE . 21.5 t -124.21 157.0 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.077 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.448 ' N ' HG12 ' A' ' 108' ' ' VAL . 72.3 m-85 -140.02 139.44 35.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.99 106.57 3.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 59.63 36.72 22.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.986 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.78 -39.53 2.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.466 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -59.54 167.05 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.767 0.318 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.413 ' HE1' HG22 ' A' ' 16' ' ' THR . 2.8 ptp -154.09 155.2 34.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -160.95 118.25 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.8 tp -64.46 117.69 7.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.407 HD13 ' CE1' ' A' ' 123' ' ' PHE . 18.8 tp -100.25 131.51 46.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.424 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . . . -82.44 171.15 14.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.2 t -67.52 -12.13 59.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -94.13 22.74 5.56 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.727 0.298 . . . . 0.0 111.165 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.85 32.19 19.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.895 0.378 . . . . 0.0 111.102 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.5 m -138.08 132.56 32.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.407 ' CE1' HD13 ' A' ' 117' ' ' LEU . 75.0 m-85 -67.44 -179.99 1.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.634 HD12 ' HE3' ' A' ' 31' ' ' MET . 3.2 pt -110.86 145.65 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -156.45 143.7 19.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 20.7 p -93.54 156.3 16.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -105.01 176.08 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -86.86 -31.53 20.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.39 -34.66 68.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 124.26 46.2 0.26 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.437 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -136.92 110.13 7.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.736 HD13 HG23 ' A' ' 37' ' ' ILE . 32.8 mt -89.38 111.45 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.055 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -133.51 173.7 11.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -81.91 119.07 23.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.61 167.46 20.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -58.4 171.51 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -59.54 -33.57 71.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 82.2 p -64.63 120.02 11.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -92.14 116.66 29.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -95.33 175.18 33.02 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.446 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -37.01 85.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.842 0.353 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.52 -32.59 64.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.4 -25.99 66.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 11.6 mmt -55.54 120.82 7.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.033 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.502 HD12 HG13 ' A' ' 147' ' ' ILE . 2.0 pt -108.9 164.47 5.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -125.17 88.1 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.502 HG13 HD12 ' A' ' 145' ' ' ILE . 10.0 mt -68.77 93.12 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -85.6 147.97 26.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.491 ' OG ' HG22 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -126.87 151.37 48.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 25.3 p -117.64 36.21 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.518 ' HB3' ' HZ2' ' A' ' 15' ' ' TRP . . . -93.5 173.01 7.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -83.0 123.59 29.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . 0.418 ' HD3' ' CD1' ' A' ' 15' ' ' TRP . 26.6 mtm-85 -93.5 162.66 13.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.63 115.42 29.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.909 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 p -108.16 -32.02 7.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -77.6 109.18 11.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.34 176.11 29.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -117.79 -66.24 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m 60.8 48.36 7.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.31 39.62 2.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.552 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.662 HD21 ' O ' ' A' ' 16' ' ' THR . 0.3 OUTLIER -102.04 138.11 39.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 110.875 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -86.37 158.25 19.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -147.7 133.36 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.1 95.8 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.63 -83.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.534 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.408 HG13 ' CD1' ' A' ' 14' ' ' TRP . 0.9 OUTLIER -132.47 30.92 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 111.062 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.416 ' CD2' ' HB3' ' A' ' 150' ' ' CYS . 56.7 m95 -134.93 134.92 41.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 37.1 p-90 -120.37 129.66 54.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.662 ' O ' HD21 ' A' ' 8' ' ' LEU . 39.3 m -66.38 140.52 58.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.2 m -79.42 149.58 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.4 t -108.4 -32.84 7.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -132.12 179.62 5.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.6 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 27.0 t80 -74.66 -37.91 62.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.17 -28.37 64.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -75.22 -28.94 60.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.931 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.495 HD11 ' HZ ' ' A' ' 109' ' ' PHE . 45.9 mt -70.23 102.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.1 m -164.06 135.8 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.45 -154.93 30.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 m -67.3 130.69 43.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.534 HG22 ' HB2' ' A' ' 149' ' ' SER . 3.9 pt -145.23 149.45 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.42 147.78 40.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.0 mt -118.52 149.72 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -134.72 101.04 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.494 ' HA ' HG22 ' A' ' 145' ' ' ILE . 11.6 mtt -77.55 -47.48 19.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.622 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 3.4 t70 -98.51 178.17 5.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.56 86.85 6.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.67 -26.72 18.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.55 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.622 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . . . -85.47 151.53 23.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 111.121 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -126.0 169.78 12.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.0 mt -74.3 113.03 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -99.93 141.83 32.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.87 134.09 49.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 40' ' ' LEU . 26.9 mt -88.44 143.35 27.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.92 -30.47 67.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -65.1 -38.51 90.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.82 -26.1 2.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.589 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mt -76.41 179.04 6.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.791 0.329 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CE2' HD21 ' A' ' 84' ' ' LEU . 18.5 m-85 -132.92 141.36 48.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.791 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -140.1 162.6 34.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.9 tp -66.85 122.53 17.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.16 179.06 32.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.83 120.0 70.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.462 0.173 . . . . 0.0 111.077 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.61 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 54.8 Cg_exo -52.23 146.96 29.46 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.417 2.078 . . . . 0.0 112.323 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -78.66 140.0 38.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -67.06 -34.59 78.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.83 156.55 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.43 -51.18 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -91.2 79.94 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -135.07 176.12 8.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -113.14 151.0 18.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.09 160.67 48.78 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.527 2.152 . . . . 0.0 112.324 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 m -74.55 162.6 72.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.531 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 51.9 Cg_exo -52.04 -48.0 23.81 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.604 2.203 . . . . 0.0 112.624 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 59.4 Cg_endo -72.42 -24.42 19.3 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.123 1.882 . . . . 0.0 112.385 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 20.7 mt-10 -76.92 -31.25 56.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -65.0 134.47 53.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.402 ' CE2' ' O ' ' A' ' 62' ' ' GLU . 99.4 m-85 -119.99 169.1 10.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.22 132.37 48.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.12 154.46 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -152.27 112.83 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.187 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -66.76 137.38 56.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.2 mt -122.28 -68.0 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.993 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.93 155.33 0.59 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 57.84 34.79 24.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.006 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 2.8 m 60.42 44.42 12.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -118.41 116.92 27.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.6 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 3.2 pt -110.09 142.31 22.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.36 123.41 46.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.9 mt -79.39 135.9 36.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -121.5 121.03 36.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 76.2 p -68.95 155.13 40.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.47 -29.06 65.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.555 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -66.04 -37.04 84.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.801 0.334 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 124.39 40.61 0.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -135.86 164.37 28.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.435 ' CZ ' HD11 ' A' ' 99' ' ' ILE . 37.8 m-85 -102.72 125.18 49.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.57 HD21 ' CE2' ' A' ' 45' ' ' PHE . 21.7 mt -64.46 127.64 32.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -144.51 153.15 24.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.574 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.604 HD13 ' ND2' ' A' ' 120' ' ' ASN . 2.9 pt -87.46 144.57 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.771 0.319 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -83.63 175.88 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -31.46 60.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.5 -45.94 42.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.0 59.64 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.546 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.5 tp -144.41 149.07 35.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.864 0.364 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.7 t -92.7 96.8 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.6 m -110.42 177.99 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.06 93.58 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.88 38.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.374 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.77 122.12 25.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.74 -33.55 74.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.38 178.5 5.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.064 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.435 HD11 ' CZ ' ' A' ' 83' ' ' TYR . 26.7 mt -135.28 85.28 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.175 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -91.72 -177.8 42.5 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.438 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.31 -43.39 54.18 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.568 2.179 . . . . 0.0 112.307 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -30.89 69.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.411 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 2.2 mp0 -82.05 -23.34 35.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -65.09 153.99 39.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 111.058 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.411 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 72.5 m95 -142.29 137.56 30.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.722 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.13 101.48 41.46 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.029 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.56 171.39 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.402 2.068 . . . . 0.0 112.229 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.8 t -152.63 96.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.204 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.495 ' HZ ' HD11 ' A' ' 23' ' ' ILE . 51.7 m-85 -99.95 120.77 40.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.795 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -142.97 121.66 12.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.022 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 57.93 31.64 20.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.51 -29.43 10.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.431 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -59.66 -179.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 6.0 ptm -168.59 129.08 1.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -143.91 153.33 42.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.049 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 tp -101.35 112.77 25.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.4 tp -94.62 123.36 38.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.51 168.95 17.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.7 t -71.93 -9.7 58.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.381 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.604 ' ND2' HD13 ' A' ' 86' ' ' ILE . 46.0 p30 -95.8 23.95 5.82 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.748 0.309 . . . . 0.0 111.201 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.88 37.69 26.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.088 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.546 ' HB2' ' HB1' ' A' ' 134' ' ' ALA . 21.0 m -146.69 129.61 16.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.861 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -65.99 179.59 0.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 20.2 pt -105.29 139.97 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.213 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.15 134.8 14.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 21.6 p -91.43 155.95 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -105.16 167.23 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -76.71 -31.71 57.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.63 -44.99 47.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 135.35 44.3 0.1 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.481 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -136.78 99.07 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.9 mt -76.37 107.03 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -116.94 173.45 6.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.546 ' HB1' ' HB2' ' A' ' 122' ' ' CYS . . . -94.16 102.23 14.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.96 163.47 12.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -53.13 172.85 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.164 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -59.34 -32.51 70.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 68.0 p -60.38 97.33 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -79.57 98.53 6.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -75.35 177.64 48.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -31.52 72.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -83.6 -32.01 25.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.75 -29.48 70.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.2 mmt -58.53 159.14 6.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.494 HG22 ' HA ' ' A' ' 31' ' ' MET . 2.8 pt -136.06 174.22 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.211 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -133.18 99.85 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.485 HG13 HD12 ' A' ' 145' ' ' ILE . 4.6 mt -82.78 128.3 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 31.6 mtt-85 -123.37 156.01 36.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.534 ' HB2' HG22 ' A' ' 27' ' ' ILE . 28.2 t -131.28 133.87 45.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . 0.416 ' HB3' ' CD2' ' A' ' 14' ' ' TRP . 26.4 p -102.88 31.74 4.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.95 172.09 9.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.057 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.5 125.11 28.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -82.26 133.87 35.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.88 82.03 2.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 155' ' ' THR . 4.7 m . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -163.01 173.3 13.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 m -100.32 121.4 41.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.32 -59.82 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -157.02 103.23 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.77 0.319 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.56 -47.75 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.93 -101.45 0.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 9' ' ' ASP . 3.0 tt -159.63 128.14 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.559 ' O ' HD23 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -62.73 140.32 58.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.411 HD13 ' HB3' ' A' ' 15' ' ' TRP . 8.5 tp -141.35 145.38 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.17 89.56 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.1 -72.2 0.42 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.419 HG13 ' CD1' ' A' ' 14' ' ' TRP . 7.1 pt -150.73 30.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 111.124 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.433 ' CZ2' ' HD2' ' A' ' 58' ' ' PRO . 86.4 m95 -132.61 90.49 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.411 ' HB3' HD13 ' A' ' 10' ' ' ILE . 56.2 p-90 -85.35 135.84 33.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.528 ' O ' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -72.17 139.22 48.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.4 m -75.98 174.03 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.6 m -128.71 -45.91 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -126.44 -178.29 4.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.733 ' HA ' HD12 ' A' ' 23' ' ' ILE . 70.3 t80 -69.22 -41.84 76.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.28 -27.69 63.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.583 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -75.99 -31.28 58.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.733 HD12 ' HA ' ' A' ' 20' ' ' PHE . 14.4 mt -72.47 107.15 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.056 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.9 m -164.42 138.28 5.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.43 -158.77 29.06 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.576 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.9 m -71.16 120.2 16.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.469 HG22 ' HA ' ' A' ' 149' ' ' SER . 39.4 pt -137.97 145.92 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.55 162.15 14.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.47 HD11 HD11 ' A' ' 76' ' ' LEU . 21.3 mt -134.79 135.79 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.159 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -116.9 114.47 23.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 49.1 mtt -82.55 -50.26 8.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.506 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 0.6 OUTLIER -104.7 -179.97 4.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.66 81.3 1.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.16 -27.29 16.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.506 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . . . -74.8 133.47 41.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.751 0.31 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -117.73 148.87 41.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.46 HG23 ' CD1' ' A' ' 132' ' ' ILE . 3.8 mt -60.92 97.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -78.99 143.3 35.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.88 134.27 50.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.3 mt -94.5 144.82 25.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.76 -30.21 67.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -67.74 -38.18 83.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.47 -23.24 2.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.538 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.08 168.72 18.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.656 ' HB3' HD12 ' A' ' 132' ' ' ILE . 35.2 m-85 -131.1 127.84 38.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 t -124.21 168.81 12.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.667 HD13 ' SG ' ' A' ' 126' ' ' CYS . 15.4 tp -73.62 110.15 7.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.06 151.89 52.59 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.463 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.32 148.94 97.65 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.697 0.284 . . . . 0.0 111.055 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.86 147.88 56.73 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.585 2.19 . . . . 0.0 112.316 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -74.16 146.89 43.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -53.53 46.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -91.51 177.79 6.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.62 -31.14 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.68 91.67 4.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -159.44 146.42 16.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.775 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.51 144.4 19.03 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.433 ' HD2' ' CZ2' ' A' ' 14' ' ' TRP . 50.8 Cg_exo -53.84 163.56 2.93 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.49 2.127 . . . . 0.0 112.327 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.6 p -68.04 163.29 52.24 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.8 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.533 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 52.2 Cg_exo -51.51 -47.95 23.67 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.517 2.145 . . . . 0.0 112.67 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 60' ' ' PRO . 62.3 Cg_endo -73.4 -24.0 16.9 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.083 1.855 . . . . 0.0 112.397 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -72.4 -38.39 68.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -61.48 104.29 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.478 ' HB3' HD22 ' A' ' 76' ' ' LEU . 93.7 m-85 -89.31 149.85 22.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.35 114.03 27.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.94 151.44 31.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.23 113.42 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.488 ' HA ' HG22 ' A' ' 74' ' ' ILE . 1.9 mtpm? -72.04 148.4 45.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mt -133.55 -67.58 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 51.2 p -180.0 160.53 0.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.4 t0 59.42 31.07 20.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.978 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.418 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 0.8 OUTLIER 60.61 36.76 19.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -116.46 112.78 21.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.488 HG22 ' HA ' ' A' ' 68' ' ' LYS . 17.4 pt -103.96 164.35 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.22 135.34 52.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.478 HD22 ' HB3' ' A' ' 64' ' ' PHE . 26.7 mt -96.13 149.03 22.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.3 tttt -134.26 113.45 11.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 p -60.01 153.01 22.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.992 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.67 -27.66 68.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.544 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.19 -30.69 68.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 110.945 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 117.61 35.94 1.03 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.424 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -136.37 173.03 12.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -112.73 128.26 56.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.573 HD21 ' CE2' ' A' ' 45' ' ' PHE . 38.4 mt -60.07 121.54 12.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -135.43 148.02 19.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.549 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 pt -101.41 128.56 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 111.109 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -66.89 171.09 5.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.05 -33.68 73.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -67.42 -31.34 71.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.18 33.5 1.48 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.416 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.9 tp -110.63 148.29 32.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.651 HG21 HG22 ' A' ' 132' ' ' ILE . 21.6 t -89.36 117.19 32.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.2 m -139.34 178.49 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.214 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -163.72 106.52 0.28 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -157.88 31.27 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 t -120.56 132.75 55.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -98.48 31.0 2.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -156.41 164.03 38.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.6 mm -81.37 144.87 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.06 -172.17 22.48 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.449 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.02 -35.21 9.3 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.585 2.19 . . . . 0.0 112.283 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -75.69 -33.69 60.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.409 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 32.9 mp0 -76.39 -8.54 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.341 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -73.31 135.33 44.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.797 0.332 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.409 ' CD1' ' O ' ' A' ' 103' ' ' GLU . 87.0 m95 -128.8 170.77 12.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -154.08 92.5 3.04 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -51.31 148.63 18.58 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.562 2.175 . . . . 0.0 112.375 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.11 111.81 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.538 ' HZ ' HD11 ' A' ' 23' ' ' ILE . 95.2 m-85 -93.31 137.92 32.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.967 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -140.26 98.86 3.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 60.0 49.56 7.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.95 -45.77 2.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.415 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -63.85 179.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.818 0.342 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.45 153.47 31.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.66 104.82 2.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.1 tp -61.23 124.14 19.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.7 tp -98.12 121.02 39.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.57 166.66 10.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.065 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.8 t -61.68 -17.08 54.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -94.85 23.82 5.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.285 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.5 p 55.17 39.36 31.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.083 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.681 ' CB ' ' HB1' ' A' ' 134' ' ' ALA . 66.4 m -135.78 141.84 44.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.851 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.658 ' CE2' ' HB2' ' A' ' 139' ' ' ALA . 91.1 m-85 -88.24 133.98 33.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 27.5 pt -61.38 149.41 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -164.05 135.32 4.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.667 ' SG ' HD13 ' A' ' 47' ' ' LEU . 27.4 p -84.14 172.72 11.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -122.78 179.66 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -86.79 -31.65 20.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.31 -42.38 25.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 132.81 49.83 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -142.75 106.63 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.656 HD12 ' HB3' ' A' ' 45' ' ' PHE . 31.2 mt -83.63 121.76 36.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.048 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -136.1 166.55 23.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.681 ' HB1' ' CB ' ' A' ' 122' ' ' CYS . . . -86.5 115.69 24.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.13 179.72 1.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.03 176.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -62.16 -46.4 89.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.9 m -59.93 135.1 57.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.658 ' HB2' ' CE2' ' A' ' 123' ' ' PHE . . . -108.41 113.63 26.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -83.69 177.73 52.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.36 -31.84 70.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -80.41 -30.44 37.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -28.1 65.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 10.6 mmt -58.22 146.77 32.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 3.0 pt -130.37 171.79 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -119.93 105.34 10.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 19.7 mt -94.58 118.1 39.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 27.5 mtt-85 -108.5 152.73 24.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.469 ' HA ' HG22 ' A' ' 27' ' ' ILE . 46.1 t -129.55 149.14 51.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 15.4 p -115.95 32.16 6.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.89 -175.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -103.82 100.43 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.5 142.29 29.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.813 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -172.87 107.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 62.1 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.913 179.963 . . . . . . . . 0 0 . 1 stop_ save_